SCHEMBL8855294

SCHEMBL8855294

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1CO)OC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.43
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL8854995 0.89 GCGR (0.39) GCGR
SCHEMBL8855015 0.82 GCGR (0.34) GCGR
SCHEMBL8855007 0.79 ALDH1A1 (0.34) GCGR
SCHEMBL8855084 0.79 PTGS2 (0.44) GCGR
SCHEMBL8855130 0.79 GCGR (0.43) GCGR
SCHEMBL8855290 0.77 GCGR (0.42) GCGRGABRA1GABRG2GABRB3
SCHEMBL9086520 0.75 GCGR (0.30) GCGR
SCHEMBL9087026 0.75
SCHEMBL2648203 0.73 GCGR (0.65) GCGRGABRA1GABRG2GABRB3
SCHEMBL8855104 0.72 HMGCR (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599952-A A 4-FLUOROBIPHENYL DERIVATIVE FUJIREBIO INC. (JP) 1997-02-04 US disclosed
US-5481009-A Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO INC. (JP) 1996-01-02 US disclosed
EP-0643054-A2 Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO Inc. (JP) 1995-03-15 EP disclosed