SCHEMBL9633464

SCHEMBL9633464

CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCO

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HPGD P15428 2/20 0.76
▸ TRPV1 Q8NER1 2/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ BLM P54132 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ MAPT P10636 1/20 0.76
▸ ALOX12 P18054 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ TRPM8 Q7Z2W7 1/20 0.69
▸ FAAH O00519 1/20 0.69
▸ KCNK3 O14649 1/20 0.69
▸ CNR2 P34972 1/20 0.69
▸ EPHX2 P34913 2/20 0.65
▸ SLC6A5 Q9Y345 1/20 0.63

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
SCHEMBL7490705 1.00 CNR1 (0.76) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL11075672 1.00 CNR1 (0.76) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL30078574 0.99 CNR1 (0.74) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL23492978 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL30802593 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL2328289 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL2220077 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL18863614 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL9803815 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL9803810 0.94 EPHX2 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1

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-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 — — US disclosed
Send feedback