SCHEMBL13347751

SCHEMBL13347751

NC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.33
ALOX5AP P20292 3/20 0.33
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 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
SCHEMBL24203140 0.91 FEN1 (0.33) FEN1ALOX5AP
SCHEMBL25929120 0.86 FEN1 (0.37) FEN1ALOX5AP
SCHEMBL29322497 0.86 FEN1 (0.37) FEN1ALOX5AP
SCHEMBL25929172 0.86 FEN1 (0.35) FEN1ALOX5AP
SCHEMBL25929340 0.86 FEN1 (0.35) FEN1ALOX5AP
SCHEMBL12223404 0.86 FEN1 (0.36) FEN1ALOX5AP
SCHEMBL19824228 0.85 FEN1 (0.37) FEN1ALOX5AP
SCHEMBL12223851 0.85 FEN1 (0.36) FEN1ALOX5AP
SCHEMBL29322529 0.83 ALOX5AP (0.30) FEN1ALOX5AP
SCHEMBL13038832 0.83 ESR2 (0.41) FEN1ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7731865-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2010-06-08 US disclosed
US-20090103011-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed