SCHEMBL8599019

SCHEMBL8599019

C=CCc1cc(-c2ccc(C=CCCCC(C)F)cc2)ccc1-c1cnccn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31

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
SCHEMBL8597749 0.88 SQOR (0.32)
SCHEMBL8601152 0.85 CYP2D6 (0.30) ALOX5APFEN1
SCHEMBL8603316 0.85 PTAFR (0.31) PTAFR
SCHEMBL8597878 0.83 PTAFR (0.36) PTAFRALOX5APFEN1
SCHEMBL8601716 0.83 PIK3CD (0.35)
SCHEMBL8597104 0.81 CYP2D6 (0.31) PTAFRALOX5APFEN1
SCHEMBL8603644 0.79 PTAFR (0.39) PTAFR
SCHEMBL8601477 0.77 AKR1C3 (0.31) PTAFR
SCHEMBL8603226 0.76 PIK3CA (0.33)
SCHEMBL7556737 0.76 HDAC3 (0.31)

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed