SCHEMBL166548

SCHEMBL166548

C=CCOC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TGM2 P21980 1/20 0.46
ALOX15 P16050 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 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
Formaldehyde SCHEMBL28517301 0.98 CYP3A4 (0.51) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL28071050 0.95 CYP3A4 (0.49) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL8397728 0.86 CYP3A4 (0.53) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL37382 0.84 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7082004 0.83 HCAR2 (0.70) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL28117903 0.83 HCAR2 (0.56) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL11064051 0.83 PKM (0.57) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL7082007 0.83 HCAR2 (0.70) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL17895893 0.83 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL7088982 0.83 HCAR2 (0.70) CYP3A4ALDH1A1TDP1MAPK1L3MBTL1

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 2171 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 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-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-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US 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-118355117-A Oligonucleotide compositions and methods thereof 波涛生命科学有限公司 2024-07-16 CN disclosed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 US disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
US-5200547-A From amine or alcohol with carbon dioxide and allyl halide MONSANTO COMPANY (US) 1993-04-06 US disclosed
EP-0477159-A1 Preparation of urethane and carbonate products MONSANTO COMPANY (US) 1992-03-25 EP disclosed
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed
EP-0187958-A2 Resin for information recording medium TORAY INDUSTRIES, INC. (JP) 1986-07-23 EP disclosed
US-4532233-A Antibiotics SHIONOGI & CO., LTD. (JP) 1985-07-30 US disclosed