SCHEMBL8854963

SCHEMBL8854963

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1Br)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P4HB P07237 2/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK10 P53779 2/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
METAP2 P50579 1/20 0.30
CTNNB1 P35222 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL8854990 0.89 PTGS2 (0.43) GCGRMEN1KMT2AP4HBPTGS2
SCHEMBL8855130 0.82 GCGR (0.43) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL8855066 0.81 PTGS2 (0.39) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL8855200 0.81 GCGR (0.40) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL8855015 0.77 GCGR (0.34) GCGRMAPK10MAPK14MAPK9CSNK1D
SCHEMBL9086126 0.77 PTGS2 (0.34) GCGRNPC1RAB9AMEN1KMT2A
SCHEMBL9084846 0.76 METAP2 (0.35) GCGRPTGS2METAP2
SCHEMBL8855005 0.71 GCGR (0.33) GCGRMAPK10MAPK14MAPK9CSNK1D
SCHEMBL8855084 0.71 PTGS2 (0.44) GCGRPTGS2
SCHEMBL8855068 0.70 MEN1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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