SCHEMBL27567793

SCHEMBL27567793

COc1ccc(C(=O)O)c2c1CC(O)C(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ PTGES O14684 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL5997891 0.79 MAOB (0.52) MAPTTDP1ALDH1A1CYP3A4HPGD
SCHEMBL8940054 0.78 FFAR4 (0.44) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL9867956 0.75 PARP1 (0.50) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL6837909 0.74 MAPT (0.47) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL5722892 0.72 PDE4A (0.43) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL8888853 0.72 CETP (0.33) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL7360407 0.70 FFAR4 (0.46) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL25256060 0.69 MAPT (0.53) MAPTHSD17B10CYP3A4CYP19A1
SCHEMBL8890048 0.69 MAPT (0.35) MAPTTDP1KDM4EALDH1A1HSD17B10
SCHEMBL5723158 0.68 PDE4D (0.49) MAPTTDP1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101433561-A Remedies TAKARA BIO INC (JP) 2009-05-20 — — CN disclosed
CN-100457124-C Therapeutic agents TAKARA BIO INC (JP) 2009-02-04 — — CN disclosed
CN-1422159-A Therapeutic agents TAKARA SHUZO CO (JP) 2003-06-04 — — CN disclosed
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