SCHEMBL20103397

SCHEMBL20103397

COc1cccc(C(C2CC2)C(C)(C)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.48
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AOC3 Q16853 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL20103584 0.84 FFAR1 (0.66) FFAR1POLBMEN1ALDH1A1MAPK1
SCHEMBL20103672 0.83 FFAR1 (0.57) FFAR1POLBMEN1ALDH1A1MAPK1
SCHEMBL20103441 0.79 FFAR1 (0.67) FFAR1
SCHEMBL20103439 0.78 FFAR1 (0.66) FFAR1
SCHEMBL27730686 0.76 POLB (0.50) FFAR1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL16320729 0.74 AOC3 (0.46) POLBSLC6A2SLC6A4SLC6A3AOC3
SCHEMBL28787874 0.74 AOC3 (0.54) FFAR1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL20738700 0.70 TAAR1 (0.51) POLBAOC3MEN1ALDH1A1KMT2A
SCHEMBL21645004 0.70 FFAR1 (0.53) FFAR1
SCHEMBL21645002 0.70 FFAR1 (0.53) 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