SCHEMBL22098534

SCHEMBL22098534

Cc1ccc(C2CC2C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
GLA P06280 1/20 0.45
FFAR4 Q5NUL3 4/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL15541789 0.83 HTR2A (0.49) FFAR1CYP4F2CYP4A11ALDH1A1GPR88
SCHEMBL24845309 0.83 FFAR1 (0.50) FFAR1GLAFFAR4MEN1KMT2A
SCHEMBL11902326 0.83 HTR2A (0.49) FFAR1CYP4F2CYP4A11ALDH1A1GPR88
SCHEMBL11902614 0.83 HTR2A (0.49) FFAR1CYP4F2CYP4A11ALDH1A1GPR88
SCHEMBL15428485 0.83 CYP1A2 (0.37) GLAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL26186801 0.83 FFAR1 (0.45) FFAR1GLAFFAR4ADORA2AGRM2
SCHEMBL26186935 0.83 FFAR1 (0.45) FFAR1GLAFFAR4ADORA2AGRM2
SCHEMBL30637003 0.83 FFAR1 (0.45) FFAR1GLAFFAR4ADORA2AGRM2
SCHEMBL17385720 0.82 CYP4F2 (0.44) FFAR1CYP4F2CYP4A11GRM2GRM3
SCHEMBL26186746 0.81 HTR2A (0.51) FFAR1GLAFFAR4KMT2AGRM2

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
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed