SCHEMBL31028186

SCHEMBL31028186

O=C(O)c1cc(-c2ccccc2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.63
HNF4A P41235 2/20 0.63
DHFR P00374 1/20 0.63
MCL1 Q07820 1/20 0.63
AKR1C2 P52895 2/20 0.62
AKR1C1 Q04828 2/20 0.62
KAT6A Q92794 1/20 0.55
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
PTPN1 P18031 2/20 0.53
DCLRE1A Q6PJP8 1/20 0.51
DCLRE1B Q9H816 1/20 0.51
IKBKB O14920 1/20 0.50
ACLY P53396 1/20 0.49

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
SCHEMBL121427 1.00 ACMSD (0.63) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL3062072 0.88 BCL2L1 (0.55) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL29363677 0.87 DCLRE1B (0.60) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL2160051 0.87 DCLRE1B (0.60) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL15555830 0.85 IKBKB (0.66) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL31725051 0.84 ACMSD (0.63) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL121429 0.84 ACMSD (0.63) ACMSDHNF4ADHFRMCL1AKR1C2
SCHEMBL29360995 0.83 ACMSD (0.76) ACMSDDHFRMCL1AKR1C2AKR1C1
SCHEMBL18742254 0.83 ACMSD (0.76) ACMSDDHFRMCL1AKR1C2AKR1C1
SCHEMBL2558737 0.82 KIF11 (0.50) ACMSDHNF4ADHFRMCL1AKR1C2

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-113646299-B Novel N-benzyl-2-phenoxybenzamide derivatives as prostaglandin E2 (PGE 2) receptor modulators 梅迪比奥法尔玛公司 2024-07-26 CN disclosed