SCHEMBL8855068

SCHEMBL8855068

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 5/20 0.37
HMGCR P04035 3/20 0.36
PTGS1 P23219 2/20 0.34
P4HB P07237 2/20 0.34
OGA O60502 1/20 0.33
KCNH2 Q12809 2/20 0.33
UGCG Q16739 1/20 0.33
METAP2 P50579 1/20 0.32
THRB P10828 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL8855063 0.88 PTGS2 (0.46) MEN1KMT2APTGS2HMGCRP4HB
SCHEMBL26005534 0.76 PTGS1 (0.37) SMN1; SMN2PTGS2PTGS1UGCG
SCHEMBL8855104 0.75 HMGCR (0.34) PTGS2HMGCRPTGS1METAP2GPR84
SCHEMBL8855130 0.71 GCGR (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22607369 0.71 PTGS1 (0.38) MEN1KMT2ASMN1; SMN2PTGS2PTGS1
SCHEMBL13054420 0.71 GABRA1 (0.38) SMN1; SMN2PTGS2PTGS1
SCHEMBL8854963 0.70 GCGR (0.34) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13303318 0.69 GABRA1 (0.41) SMN1; SMN2PTGS2PTGS1
SCHEMBL12412397 0.69 PTGS1 (0.37) SMN1; SMN2PTGS2PTGS1
SCHEMBL8855101 0.69 HMGCR (0.33) PTGS2HMGCRGPR84

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