SCHEMBL9212430

SCHEMBL9212430

CCCCCCCCC=CCCCCCCCC(=O)N[C@H]1CCCC[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.75
CNR2 P34972 10/20 0.75
CNR1 P21554 8/20 0.75
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL9212425 1.00 TRPV1 (0.75) TRPV1CNR2CNR1MEN1ALDH1A1
SCHEMBL9204690 1.00 TRPV1 (0.75) TRPV1CNR2CNR1MEN1ALDH1A1
SCHEMBL9204695 1.00 TRPV1 (0.75) TRPV1CNR2CNR1MEN1ALDH1A1
SCHEMBL9209602 0.96 CNR2 (0.70) TRPV1CNR2CNR1MEN1ALDH1A1
SCHEMBL9209547 0.92 TRPV1 (0.71) TRPV1CNR2CNR1
SCHEMBL4135884 0.92 TRPV1 (0.71) TRPV1CNR2CNR1
SCHEMBL4133180 0.92 TRPV1 (0.71) TRPV1CNR2CNR1
SCHEMBL30526488 0.92 TRPV1 (0.71) TRPV1CNR2CNR1
SCHEMBL30526485 0.92 TRPV1 (0.71) TRPV1CNR2CNR1
SCHEMBL4133182 0.92 TRPV1 (0.71) TRPV1CNR2CNR1

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