SCHEMBL113906

SCHEMBL113906

NC(=O)OCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX5 P09917 1/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL4750147 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1TDP1ALOX5SLC1A3
Cyclohexane SCHEMBL9403768 0.95 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL31366765 0.86 ALDH1A1 (0.53) ALDH1A1TDP1POLBTSHRMAPT
SCHEMBL14991432 0.84 ALDH1A1 (0.72) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL6443452 0.82 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL6443447 0.82 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL28863935 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL4369568 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL28299288 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1ALOX5SLC1A3
SCHEMBL3785783 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1TDP1ALOX5SLC1A3

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 3895 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-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
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
CN-112358596-A Cardanol-based shape memory polymer and preparation method thereof 中国林业科学研究院林产化学工业研究所 2021-02-12 CN claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN claimed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP claimed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 WO claimed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP claimed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP claimed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US claimed
US-5264583-A Photographic coupler and method of making the same EASTMAN KODAK COMPANY (US) 1993-11-23 US claimed
US-4291088-A MULTILAYER; WITH GLASS FIBERS ON SURFACE COVERED WITH A INORGANIC MATERIAL KONINKLIJKE EMBALLAGE INDUSTRIE VAN LEER B.V. (NL) 1981-09-22 US claimed