SCHEMBL20103584

SCHEMBL20103584

COc1cccc(C(C2CC2)C(C)(F)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.66
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20103672 0.89 FFAR1 (0.57) FFAR1POLBMEN1ALDH1A1MAPK1
SCHEMBL21645004 0.86 FFAR1 (0.53) FFAR1
SCHEMBL21645002 0.86 FFAR1 (0.53) FFAR1
SCHEMBL21644948 0.84 FFAR1 (0.52) FFAR1
SCHEMBL21644949 0.84 FFAR1 (0.52) FFAR1
SCHEMBL20103397 0.84 FFAR1 (0.48) FFAR1POLBMEN1ALDH1A1MAPK1
SCHEMBL29454631 0.83 FFAR1 (0.58) FFAR1KMT2A
SCHEMBL23255992 0.83 FFAR1 (0.60) FFAR1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL21644928 0.83 FFAR1 (0.48) FFAR1
SCHEMBL21644927 0.83 FFAR1 (0.48) FFAR1

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed