SCHEMBL18503352

SCHEMBL18503352

CC1CCC(C2CCC(C3CCC(Cc4ccc(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
PROKR1 Q8TCW9 3/20 0.36
FPR2 P25090 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL18503342 1.00 CNR1 (0.44) CNR1PROKR1FPR2ALDH1A1HTT
SCHEMBL13681462 0.95 CNR1 (0.47) CNR1PROKR1FPR2ALDH1A1HTT
SCHEMBL4292162 0.86 CNR1 (0.52) CNR1ALDH1A1HTTCNR2NPC1
SCHEMBL19262445 0.85 MEN1 (0.46) CNR1PROKR1FPR2ALDH1A1HTT
SCHEMBL13171736 0.84 SLC6A2 (0.40) CNR1ALDH1A1HTTNPC1MEN1
SCHEMBL13433711 0.84 SLC6A2 (0.40) CNR1ALDH1A1HTTNPC1MEN1
SCHEMBL14175186 0.83 ALOX5 (0.31) PROKR1FPR2
SCHEMBL18503357 0.83 ALOX5 (0.31) PROKR1FPR2
SCHEMBL19887761 0.82 LMNA (0.38) CNR1PROKR1FPR2
SCHEMBL12241635 0.79 CNR1 (0.47) CNR1ALDH1A1HTTCNR2MEN1

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-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed