SCHEMBL8074832

SCHEMBL8074832

CCc1ccc(-c2ccc(F)[c]c2F)cc1CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HSD17B1 P14061 1/20 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
SCHEMBL15063635 0.76 GABRA1 (0.31)
SCHEMBL8066038 0.75 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL8074834 0.75 ESR1 (0.38) HSD17B1
SCHEMBL15471654 0.75 ALOX5AP (0.43) ALOX5APFEN1HSD17B1
SCHEMBL27496672 0.72 PTGS2 (0.41)
SCHEMBL10916725 0.71 HSD17B1 (0.45) HSD17B1
SCHEMBL8072415 0.70 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL27465816 0.69 PTGS2 (0.36)
SCHEMBL8066042 0.69 HSD17B1 (0.33) HSD17B1
SCHEMBL12446941 0.69 IDO1 (0.38)

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed