SCHEMBL29584172

SCHEMBL29584172

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ CCNT1 O60563 6/20 0.35
▸ CDK9 P50750 6/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ FFAR1 O14842 7/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL24424175 1.00 FFAR4 (0.36) FFAR4CYP4F2CYP4A11CCNT1CDK9
SCHEMBL29243425 1.00 FFAR4 (0.36) FFAR4CYP4F2CYP4A11CCNT1CDK9
SCHEMBL29584643 0.92 FFAR4 (0.34) FFAR4HCRTR2FFAR1CYP3A4CYP2C8
SCHEMBL25090532 0.92 FFAR4 (0.34) FFAR4HCRTR2FFAR1CYP3A4CYP2C8
SCHEMBL24423713 0.89 CYP4F2 (0.36) CYP4F2CYP4A11CCNT1CDK9FFAR2
SCHEMBL29584640 0.89 CYP4F2 (0.36) CYP4F2CYP4A11CCNT1CDK9FFAR2
SCHEMBL24423081 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1CYP3A4CYP2C8
SCHEMBL24423091 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1CYP3A4CYP2C8
SCHEMBL24423068 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1CYP3A4CYP2C8
SCHEMBL24423338 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1CYP3A4CYP2C8

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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