SCHEMBL9209602

SCHEMBL9209602

CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1CCCC[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.70
TRPV1 Q8NER1 10/20 0.70
CNR1 P21554 8/20 0.70
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
FAAH O00519 1/20 0.53

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
SCHEMBL9212430 0.96 TRPV1 (0.75) CNR2TRPV1CNR1MEN1KMT2A
SCHEMBL9204695 0.96 TRPV1 (0.75) CNR2TRPV1CNR1MEN1KMT2A
SCHEMBL9212425 0.96 TRPV1 (0.75) CNR2TRPV1CNR1MEN1KMT2A
SCHEMBL9204690 0.96 TRPV1 (0.75) CNR2TRPV1CNR1MEN1KMT2A
SCHEMBL14671453 0.90 CNR2 (0.69) CNR2TRPV1CNR1MEN1KMT2A
SCHEMBL4133182 0.88 TRPV1 (0.71) CNR2TRPV1CNR1
SCHEMBL4133180 0.88 TRPV1 (0.71) CNR2TRPV1CNR1
SCHEMBL30526488 0.88 TRPV1 (0.71) CNR2TRPV1CNR1
SCHEMBL9209547 0.88 TRPV1 (0.71) CNR2TRPV1CNR1
SCHEMBL4135884 0.88 TRPV1 (0.71) CNR2TRPV1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed