SCHEMBL13496473

SCHEMBL13496473

CCC/C=C/CCC(=O)NCCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.59
▸ ALDH1A1 P00352 4/20 0.56
▸ FAAH O00519 3/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL16268138 0.92 CNR1 (0.51) CNR1ALDH1A1FAAHEPHX2CNR2
SCHEMBL16268853 0.92 CNR1 (0.51) CNR1ALDH1A1FAAHEPHX2CNR2
SCHEMBL18120322 0.90 CNR1 (0.69) CNR1ALDH1A1FAAHEPHX2CNR2
SCHEMBL17467159 0.88 CNR1 (0.72) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14864049 0.85 CNR1 (0.78) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL29989035 0.83 CNR1 (0.81) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL3351989 0.79 CASP2 (0.56) CNR1ALDH1A1FAAHMEN1KMT2A
SCHEMBL9968526 0.79 CNR1 (0.50) CNR1ALDH1A1FAAHEPHX2MAPT
SCHEMBL3486494 0.79 EPHX2 (0.69) CNR1ALDH1A1EPHX2MEN1BLM
SCHEMBL3486112 0.79 EPHX2 (0.69) CNR1ALDH1A1EPHX2MEN1BLM

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
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 — — WO disclosed
Send feedback