SCHEMBL7038422

SCHEMBL7038422

COc1ccc2c(c1)C(=O)C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 5/20 0.44
PKM P14618 3/20 0.44
MCL1 Q07820 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HKDC1 Q2TB90 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APAF1 O14727 1/20 0.43
PABPC1 P11940 1/20 0.43
IDO1 P14902 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43

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
SCHEMBL31439223 1.00 CA2 (0.50) CA2CA1CA4CA7CA9
SCHEMBL2529848 0.89 PTPRC (0.55) CA2CA1CA4CA7CA9
SCHEMBL1893435 0.84 CA9 (0.50) CA2CA1CA4CA7CA9
SCHEMBL11352811 0.83 CA1 (0.58) CA2CA1CA4CA7CA9
SCHEMBL30098828 0.81 CA2 (0.41) CA2CA1CA4CA7CA9
SCHEMBL28924663 0.81 CA2 (0.41) CA2CA1CA4CA7CA9
SCHEMBL30821102 0.78 CA2 (0.47) CA2CA9ALDH1A1MAPTPKM
SCHEMBL2523397 0.77 PTPRC (0.57) CA2CA1CA4CA7CA9
SCHEMBL27692616 0.76 CA1 (0.48) CA2CA1CA4CA7CA9
SCHEMBL12947560 0.76 GSTP1 (0.56) CA2CA1CA4CA7CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133376-B Organic solar cell receptor material, preparation method thereof and organic solar cell 北京师范大学 2023-05-09 CN claimed
CN-116282078-A Salt recovery solution and method of using the same 阿克福特斯技术有限公司 2023-06-23 CN disclosed
CN-114133376-B Organic solar cell receptor material, preparation method thereof and organic solar cell 北京师范大学 2023-05-09 CN disclosed
US-6555634-B1 Di- and tri-heteroatom substituted indenyl metal complexes THE DOW CHEMICAL COMPANY 2003-04-29 US disclosed
EP-1178997-B1 DI-AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES DOW GLOBAL TECHNOLOGIES INC (US) 2003-03-05 EP disclosed
EP-1178997-A1 DI-AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2002-02-13 EP disclosed
WO-2000069871-A1 DI- AND TRI-HETEROATOM SUBSTITUTED INDENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-11-23 WO disclosed
CN-1156443-A Benzocycloalkene compound, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-06 CN disclosed