SCHEMBL30630698

SCHEMBL30630698

COc1cc(-c2cc(C(=O)N3[C@@H]4CC[C@H]3CC(C(=O)OCc3ccccc3)C4)n[nH]2)c(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ STS P08842 1/20 0.35
▸ FFAR1 O14842 13/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ HCRTR2 O43614 2/20 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
SCHEMBL29585274 1.00 CYP4F2 (0.36) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL25090842 1.00 CYP4F2 (0.36) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL29585591 0.91 STS (0.39) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL29584782 0.91 CYP4F2 (0.39) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL24424190 0.91 CYP4F2 (0.39) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL30630511 0.91 CYP4F2 (0.39) CYP4F2CYP4A11PIK3CAMTORSTS
SCHEMBL24424175 0.86 FFAR4 (0.36) CYP4F2CYP4A11FFAR1CYP3A4CYP2C8
SCHEMBL29243425 0.86 FFAR4 (0.36) CYP4F2CYP4A11FFAR1CYP3A4CYP2C8
SCHEMBL29584172 0.86 FFAR4 (0.36) CYP4F2CYP4A11FFAR1CYP3A4CYP2C8
SCHEMBL25090532 0.83 FFAR4 (0.34) FFAR1CYP3A4CYP2C8HCRTR2

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
Send feedback