SCHEMBL3963336

SCHEMBL3963336

O=C(CCCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.60
MAOB P27338 4/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
CTSD P07339 1/20 0.54
ABCB1 P08183 1/20 0.54
ALOX5 P09917 1/20 0.54
GABRA1 P14867 1/20 0.54
MAOA P21397 1/20 0.54
MAPK1 P28482 1/20 0.54
GABRB2 P47870 1/20 0.54
DHODH Q02127 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL3963333 1.00 TRPV1 (0.60) TRPV1MAOBRAB9ANPC1HPGD
SCHEMBL14025734 1.00 TRPV1 (0.60) TRPV1MAOBRAB9ANPC1HPGD
SCHEMBL31329216 1.00 TRPV1 (0.60) TRPV1MAOBRAB9ANPC1HPGD
SCHEMBL23728189 0.99 TRPV1 (0.61) TRPV1MAOBRAB9ANPC1HPGD
Piperrolein B SCHEMBL15471329 0.99 TRPV1 (0.61) TRPV1MAOBRAB9ANPC1HPGD
Piperrolein B SCHEMBL15159494 0.99 TRPV1 (0.61) TRPV1MAOBRAB9ANPC1HPGD
Piperettine SCHEMBL15159493 0.98 TRPV1 (0.63) TRPV1MAOBRAB9ANPC1HPGD
Piperettine SCHEMBL29477286 0.98 TRPV1 (0.63) TRPV1MAOBRAB9ANPC1HPGD
Piperettine SCHEMBL29371038 0.98 TRPV1 (0.63) TRPV1MAOBRAB9ANPC1HPGD
SCHEMBL24780959 0.90 TRPV1 (0.64) TRPV1MAOBRAB9ANPC1HPGD

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-2009041786-A2 PHARMACEUTICAL COMPOSITION COMPRISING INHIBITORS OF CELL ADHESION MOLECULE ISOLATED FROM PIPER LONGUM FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-04-02 WO disclosed