SCHEMBL29503591

SCHEMBL29503591

COc1ccc2c(c1)OCC(O)(CC(=O)O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CYP19A1 P11511 5/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 7/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 2/20 0.39

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
SCHEMBL2155852 0.79 CYP19A1 (0.43) CA1CA2CA4CA7CA9
SCHEMBL31525604 0.76 CYP19A1 (0.48) CA1CA2CA4CA7CA9
SCHEMBL1500280 0.76 CYP19A1 (0.48) CA1CA2CA4CA7CA9
SCHEMBL4618571 0.74 CYP19A1 (0.47) CA1CA2CA4CA7CA9
SCHEMBL4618569 0.74 CYP19A1 (0.47) CA1CA2CA4CA7CA9
SCHEMBL2155857 0.74 CYP3A4 (0.43) CA1CA2CA4CA7CA9
SCHEMBL12395267 0.72 MAPT (0.46) CYP19A1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2156603 0.71 CYP19A1 (0.43) CA2CYP19A1SMN1; SMN2MAPTLMNA
SCHEMBL5855991 0.71 CYP19A1 (0.47) CA1CA2CA4CA7CA9
SCHEMBL28439793 0.70 MAOB (0.44) CA1CA2CA4CA7CA9

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116162230-B Low-cost and high-leveling polyester resin for powder coating and preparation method thereof 黄山市向荣新材料有限公司 2025-02-11 CN claimed
CN-117946536-A Preparation process of gray black reactive dye 浙江劲光实业股份有限公司 2024-04-30 CN disclosed
EP-3352240-B1 EXTERIOR MATERIAL FOR LITHIUM ION BATTERY TOPPAN PRINTING CO LTD (JP) 2024-02-14 EP disclosed
CN-116162230-A Low-cost and high-leveling polyester resin for powder coating and preparation method thereof 黄山市向荣新材料有限公司 2023-05-26 CN disclosed
CN-107531898-B Microparticles 斯菲瑞技术有限公司 2022-03-22 CN disclosed