SCHEMBL8066038

SCHEMBL8066038

CCc1ccc(-c2ccc[c]c2F)cc1CC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
TRPA1 O75762 1/20 0.33
BDKRB1 P46663 3/20 0.32
SCN9A Q15858 1/20 0.31
PTPN5 P54829 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL8074571 0.80 PTPN5 (0.34) TRPA1PTPN5
SCHEMBL8064578 0.78 PDCD1 (0.35) TRPA1TNKS2
SCHEMBL8072413 0.77 ESR1 (0.31)
SCHEMBL8074755 0.76 HPRT1 (0.33) TRPA1
SCHEMBL8074832 0.75 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL8064206 0.74 ESR1 (0.31)
SCHEMBL455634 0.73
SCHEMBL8072415 0.72 ALOX5AP (0.32) ALOX5APFEN1SCN9ATNKSTNKS2
SCHEMBL8074556 0.72 HTR2A (0.32) SCN9A
SCHEMBL7805516 0.72 PTGS2 (0.36)

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