SCHEMBL745384

SCHEMBL745384

CC(Nc1ccc(-c2ccoc2C(=O)O)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
CASR P41180 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
PDE2A O00408 2/20 0.39
MCHR1 Q99705 2/20 0.39
FFAR1 O14842 3/20 0.38
EPHX2 P34913 1/20 0.37
KIF11 P52732 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36
PTGER4 P35408 2/20 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
SCHEMBL746600 0.77 ADRB1 (0.46)
SCHEMBL178524 0.77 SLC6A4 (0.42)
SCHEMBL140931 0.76 GCGR (0.57) MCHR1KIF11
SCHEMBL27851926 0.76 GCG (0.40)
SCHEMBL178522 0.76 GCG (0.40)
SCHEMBL244322 0.74 GPR35 (0.43) FFAR1KIF11
SCHEMBL12951708 0.72 ALDH1A1 (0.41) PDE2A
SCHEMBL7566604 0.71 GAA (0.61) CASRKIF11
SCHEMBL6542509 0.71 ALDH1A1 (0.57) CASR
SCHEMBL6542384 0.71 ALDH1A1 (0.57) CASR

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-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP claimed