SCHEMBL31344786

SCHEMBL31344786

COc1ccc(C2=Cc3ccc(OC(=O)C(C)(C)C)cc3CC2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
PTGS2 P35354 2/20 0.45
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 4/20 0.36
MAPK14 Q16539 1/20 0.36
CA2 P00918 5/20 0.35
CYP26A1 O43174 1/20 0.35
MIF P14174 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
SCHEMBL226150 0.86 CYP11B2 (0.59) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL29261768 0.83 CYP11B2 (0.50) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL225239 0.79 PTGS2 (0.51) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL31344787 0.74 ELANE (0.45) ELANECA2
SCHEMBL24357704 0.73 ELANE (0.41) PTGS2ELANE
SCHEMBL4416577 0.71 CYP11B1 (0.51) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL223835 0.70 CYP11B2 (0.56) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL31018795 0.70 PTGS2 (0.45) CYP11B1CYP11B2PTGS2CYP19A1KDM4E
SCHEMBL227296 0.69 PTGS2 (0.49) CYP11B1CYP11B2PTGS2CYP19A1MAPK14
SCHEMBL2622591 0.69 CYP11B2 (0.64) CYP11B1CYP11B2PTGS2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN disclosed