SCHEMBL11399612

SCHEMBL11399612

CCOC(=O)CC(C)(O)C=CCCc1ccc(OCc2ccccc2C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.44
▸ FFAR1 O14842 6/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ SLC26A4 O43511 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ THRA P10827 1/20 0.34

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
SCHEMBL11429395 0.78 MAOB (0.46) MAOBFFAR1FFAR4
SCHEMBL11388004 0.78 MAOB (0.55) MAOBFFAR1FFAR4CCNB2CDK1
SCHEMBL11399725 0.76 HTR1A (0.45) KDM4ETHRBHPGD
SCHEMBL11399750 0.76 HTR1A (0.45) KDM4ETHRBHPGD
SCHEMBL11388723 0.76 NR1H4 (0.51) MAOBFFAR1FFAR4KDM4EPPARG
SCHEMBL11388721 0.76 NR1H4 (0.51) MAOBFFAR1FFAR4KDM4EPPARG
SCHEMBL11399724 0.76 HTR1A (0.45) KDM4ETHRBHPGD
SCHEMBL11401575 0.75 MAOB (0.52) MAOBFFAR1FFAR4CCNB2CDK1
SCHEMBL11388895 0.74 ABCB1 (0.44) —
SCHEMBL11388893 0.74 ABCB1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 — — US disclosed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 — — US disclosed
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