SCHEMBL29583762

SCHEMBL29583762

COc1cc(-c2cc(C(=O)N3CCC(O)(C(=O)NCc4cccc(Cl)c4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ RET P07949 3/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ THRB P10828 3/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL24422999 1.00 POLB (0.44) POLBRETEPHX2METAP2THRB
SCHEMBL29585078 0.93 POLB (0.46) POLBEPHX2METAP2THRBROCK2
SCHEMBL24423578 0.93 POLB (0.46) POLBEPHX2METAP2THRBROCK2
SCHEMBL29243422 0.92 POLB (0.43) POLBRETEPHX2METAP2THRB
SCHEMBL29584984 0.92 POLB (0.43) POLBRETEPHX2METAP2THRB
SCHEMBL29584948 0.91 POLB (0.43) POLBEPHX2METAP2THRBROCK2
SCHEMBL29243835 0.91 POLB (0.43) POLBEPHX2METAP2THRBROCK2
SCHEMBL29243868 0.91 POLB (0.42) POLBEPHX2METAP2THRBROCK2
SCHEMBL29584936 0.91 POLB (0.42) POLBEPHX2METAP2THRBROCK2
SCHEMBL29585770 0.90 POLB (0.42) POLBEPHX2METAP2THRBROCK2

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