SCHEMBL1955

SCHEMBL1955

NC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A3 Q01959 3/20 0.46
LMNA P02545 3/20 0.46
DRD3 P35462 2/20 0.46
MAPK1 P28482 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
EDNRB P24530 1/20 0.46
MC4R P32245 1/20 0.46
CYP2C19 P33261 1/20 0.46
MC3R P41968 1/20 0.46
DRD2 P14416 1/20 0.46
KIF11 P52732 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9389474 0.98 ESR1 (0.52) ESR1ESR2CYP2D6CYP1A2PKM
SCHEMBL27895807 0.90 ESR1 (0.64) ESR1ESR2CYP2D6CYP1A2PKM
SCHEMBL28312495 0.86 ESR1 (0.42) ESR1ESR2CYP2D6CYP1A2PKM
SCHEMBL16763230 0.86 ESR1 (0.50) ESR1ESR2CYP2D6CYP1A2PKM
SCHEMBL16763231 0.86 ESR1 (0.50) ESR1ESR2CYP2D6CYP1A2PKM
Piperidine SCHEMBL17460194 0.84 ESR1 (0.41) ESR1ESR2CYP2D6CYP1A2PKM
SCHEMBL27687109 0.84 SMN1; SMN2 (0.50) ESR1ESR2SMN1; SMN2SLC6A3LMNA
SCHEMBL3990914 0.83 ESR1 (0.59) ESR1ESR2CYP2D6LMNAMAPK1
SCHEMBL28752431 0.83 ESR1 (0.59) ESR1ESR2CYP2D6LMNAMAPK1
SCHEMBL11475375 0.83 CYP1A2 (0.46) ESR1ESR2CYP2D6CYP1A2PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4511 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
CN-109963833-B Process for the preparation of mono-protected alpha, omega-diaminoalkanes 拜奥迪斯私人有限公司 2022-02-22 CN claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3538510-B1 PROCESS FOR THE PREPARATION OF MONO-PROTECTED ALPHA,OMEGA-DIAMINO ALKANES BYONDIS BV (NL) 2021-01-06 EP claimed
US-20050020689-A1 Process and intermediates for the preparation of 3-(amino)-3-cyclobutylmethyl-2-hydroxy-propionamide or salts thereof SCHERING CORPORATION 2005-01-27 US claimed
WO-2004113272-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 3-(AMINO)-3-CYCLOBUTYLMETHYL-2-HYDROXY-PROPIONAMIDE OR SALTS THEREOF SCHERING CORPORATION (US) 2004-12-29 WO claimed
WO-2004113294-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF (1R, 2S, 5S)-3-AZABICYCLO[3, 1, 0]HEXANE-2-CARBOXAMIDE, N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2, 3-DIOXOPROPYL] ]-3-[(2S)-2-[[[1, 1-DIMETHYLETHYL]AMINO]CARBONYLAMINO]-3, 3-DIMETHYL-1-OXOBUTYL]-6, 6-DIMETHYL SCHERING CORPORATION (US) 2004-12-29 WO claimed
US-6818773-B2 AIDS THERAPY; ANTIINFLAMAMTORY AGENTS; ANTIALLERGENS; RHEUMATIC DISEASES SCHERING CORPORATION 2004-11-16 US claimed
EP-1436284-A1 SYNTHESIS OF 4- (Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'- 2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORPORATION (US) 2004-07-14 EP claimed
WO-2003033490-A9 SYNTHESIS OF 4-[(Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'-[2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORP (US) 2004-06-10 WO claimed
US-20030105131-A1 Synthesis of 4-[(Z)-4-bromophenyl)(ethoxyimino) methyl]-1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-1,4-'bipiperidine SCHERING CORPORATION 2003-06-05 US claimed
WO-2003033490-A1 SYNTHESIS OF 4-[(Z)-(4-BROMOPHENYL)(ETHOXYIMINO)METHYL]-1'-[2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL]-4'METHYL-1,4'BIPIPERIDINE SCHERING CORPORATION (US) 2003-04-24 WO claimed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 EP claimed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 US claimed