SCHEMBL30660087

SCHEMBL30660087

Cc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)c(OCCCN)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 3/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL22090709 1.00 HPGD (0.45) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL22090718 0.96 HPGD (0.45) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL30660088 0.96 HPGD (0.45) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL25801014 0.91 HPGD (0.46) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL30660105 0.89 HPGD (0.45) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL22090689 0.89 HPGD (0.45) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL21822864 0.88 TSHR (0.47) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL30660086 0.88 HPGD (0.43) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL22090511 0.88 HPGD (0.43) HPGDMAPTCYP3A4KDM4EALDH1A1
SCHEMBL22090784 0.87 HPGD (0.42) HPGDMAPTCYP3A4KDM4EALDH1A1

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-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 — — CN disclosed
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