SCHEMBL30630709

SCHEMBL30630709

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ccccc4C(F)(F)F)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 19/20 0.47
▸ CYP2C9 P11712 10/20 0.47
▸ SMO Q99835 1/20 0.43

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
SCHEMBL29243659 1.00 EPHX2 (0.47) EPHX2CYP2C9SMO
SCHEMBL24424312 0.90 MALT1 (0.41) EPHX2CYP2C9SMO
SCHEMBL29583211 0.89 SMO (0.43) EPHX2SMO
SCHEMBL24423840 0.89 SMO (0.43) EPHX2SMO
SCHEMBL25090829 0.89 EPHX2 (0.43) EPHX2
SCHEMBL24423552 0.88 SMO (0.42) EPHX2SMO
SCHEMBL29583439 0.88 SMO (0.42) EPHX2SMO
SCHEMBL29243712 0.87 SMO (0.43) EPHX2SMO
SCHEMBL29584732 0.87 SMO (0.43) EPHX2SMO
SCHEMBL24424319 0.86 CDK9 (0.39) EPHX2SMO

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-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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