SCHEMBL31736098

SCHEMBL31736098

CC(=O)O[C@@H](C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
FFAR1 O14842 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PTGS1 P23219 1/20 0.41
PPARG P37231 3/20 0.40
CTSA P10619 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14603498 0.86 F9 (0.47) ALDH1A1CYP3A4CTSA
SCHEMBL17295978 0.86 GPR139 (0.46) GPR139FFAR1TRPM8PTGS1PPARG
SCHEMBL29392091 0.86 GPR139 (0.46) GPR139FFAR1TRPM8PTGS1PPARG
SCHEMBL29017154 0.86 GPR139 (0.46) GPR139FFAR1TRPM8PTGS1PPARG
SCHEMBL27643007 0.83 GPR139 (0.46) GPR139FFAR1TRPM8PTGS1
SCHEMBL29393863 0.82 FFAR1 (0.48) GPR139FFAR1TRPM8CTSA
SCHEMBL17295975 0.82 FFAR1 (0.48) GPR139FFAR1TRPM8CTSA
SCHEMBL23043854 0.80 PPARG (0.51) ALDH1A1CYP3A4PPARGCYP2C9
SCHEMBL31736053 0.80 PPARG (0.51) ALDH1A1CYP3A4PPARGCYP2C9
SCHEMBL29684562 0.80 PPARG (0.51) ALDH1A1CYP3A4PPARGCYP2C9

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
WO-2025242872-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Apollo AP45 Limited (GB) 2025-11-27 WO disclosed