SCHEMBL20103376

SCHEMBL20103376

COC(=O)C(C)(F)[C@H](c1cccc(N=C(c2ccccc2)c2ccccc2)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CASR P41180 1/20 0.32
KCNN4 O15554 1/20 0.32
SMO Q99835 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21688306 1.00 FFAR1 (0.41) FFAR1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL21688298 0.82 FFAR1 (0.43) FFAR1MAPK1KMT2ANPC1RAB9A
SCHEMBL20103527 0.79 FFAR1 (0.44) FFAR1RAB9A
SCHEMBL20103443 0.79 FFAR1 (0.44) FFAR1RAB9A
SCHEMBL20103446 0.79 FFAR1 (0.44) FFAR1RAB9A
SCHEMBL21688395 0.78 FFAR1 (0.43) FFAR1ALDH1A1PTGS1
SCHEMBL20103672 0.78 FFAR1 (0.57) FFAR1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL21688303 0.76 FFAR1 (0.46) FFAR1MEN1KMT2A
SCHEMBL20103532 0.76 FFAR1 (0.46) FFAR1MEN1KMT2A
SCHEMBL21644971 0.75 ITGB3 (0.40) FFAR1MAPK1ALDH1A1MEN1KMT2A

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