SCHEMBL8855005

SCHEMBL8855005

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1Br)C(C)(C)OO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.33
MAPK10 P53779 2/20 0.30
MAPK14 Q16539 2/20 0.30
MAPK9 P45984 1/20 0.30
CSNK1D P48730 1/20 0.30

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
SCHEMBL8855290 0.82 GCGR (0.42) GCGR
SCHEMBL8855003 0.81 ALDH1A1 (0.36) GCGR
SCHEMBL8854989 0.81 GCGR (0.39) GCGR
SCHEMBL8855015 0.75 GCGR (0.34) GCGRMAPK10MAPK14MAPK9CSNK1D
SCHEMBL8854963 0.71 GCGR (0.34) GCGRMAPK10MAPK14MAPK9CSNK1D
SCHEMBL8854990 0.71 PTGS2 (0.43) GCGRMAPK10MAPK14MAPK9CSNK1D
SCHEMBL8855095 0.66 MGAM (0.38) GCGRMAPK14
SCHEMBL8854967 0.66 MGAM (0.38) GCGRMAPK14
SCHEMBL8855322 0.65 MGAM (0.37) GCGRMAPK14
SCHEMBL8855150 0.65 GCGR (0.39) GCGRMAPK14

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