SCHEMBL29584640

SCHEMBL29584640

COc1cc(-c2cc(C(=O)N3[C@@H]4CC[C@H]3CC(C(=O)O)C4)n[nH]2)c(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ FFAR2 O15552 9/20 0.36
▸ TRPC6 Q9Y210 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ CCNT1 O60563 2/20 0.30
▸ CDK9 P50750 2/20 0.30
▸ SUV39H2 Q9H5I1 1/20 0.30

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
SCHEMBL24423713 1.00 CYP4F2 (0.36) CYP4F2CYP4A11FFAR2TRPC6SMO
SCHEMBL29585588 0.92 CHRM4 (0.34) FFAR2SMOCHRM4LRRK2AKR1C3
SCHEMBL30630805 0.92 CHRM4 (0.34) FFAR2SMOCHRM4LRRK2AKR1C3
SCHEMBL24423446 0.92 CHRM4 (0.34) FFAR2SMOCHRM4LRRK2AKR1C3
SCHEMBL24423040 0.90 FFAR2 (0.35) FFAR2SMOCHRM4
SCHEMBL24424175 0.89 FFAR4 (0.36) CYP4F2CYP4A11FFAR2CCNT1CDK9
SCHEMBL29243425 0.89 FFAR4 (0.36) CYP4F2CYP4A11FFAR2CCNT1CDK9
SCHEMBL29584172 0.89 FFAR4 (0.36) CYP4F2CYP4A11FFAR2CCNT1CDK9
SCHEMBL24423714 0.88 MGLL (0.33) FFAR2SMOCHRM4LRRK2AKR1C3
SCHEMBL24423448 0.88 MGLL (0.33) FFAR2SMOCHRM4LRRK2AKR1C3

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
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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