SCHEMBL29585529

SCHEMBL29585529

COc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)n[nH]2)c(Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.34
▸ FFAR2 O15552 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PDCD1 Q15116 2/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ S1PR1 P21453 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
SCHEMBL24423900 1.00 SMO (0.34) SMOFFAR2FFAR4PDCD1CD274
SCHEMBL29584553 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL29584337 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL29584811 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL24424096 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL24423493 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL24423491 0.90 FFAR4 (0.40) FFAR2FFAR4FFAR1
SCHEMBL24423866 0.85 GAA (0.40) SMOFFAR2
SCHEMBL29586649 0.84 JAK3 (0.33) SMO
SCHEMBL24424274 0.83 LRRK2 (0.37) FFAR4

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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