SCHEMBL9208702

SCHEMBL9208702

CCCCC=CCCCCCCCCCCC(C)(C)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.45
TRPV1 Q8NER1 1/20 0.45
SOAT1 P35610 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
ACLY P53396 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 2/20 0.40
TERT O14746 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9207284 1.00 FAAH (0.45) FAAHTRPV1SOAT1F7F3
SCHEMBL9206537 1.00 FAAH (0.45) FAAHTRPV1SOAT1F7F3
SCHEMBL9210638 0.98 FAAH (0.41) FAAHTRPV1SOAT1F7F3
SCHEMBL9210560 0.96 FAAH (0.50) FAAHTRPV1SOAT1F7F3
SCHEMBL9202958 0.96 FAAH (0.50) FAAHTRPV1SOAT1F7F3
SCHEMBL165447 0.96 FAAH (0.50) FAAHTRPV1SOAT1F7F3
SCHEMBL9211167 0.96 FAAH (0.50) FAAHTRPV1SOAT1F7F3
SCHEMBL9211940 0.96 FAAH (0.50) FAAHTRPV1SOAT1F7F3
Hydrochloric Acid SCHEMBL9484019 0.94 FAAH (0.48) FAAHTRPV1SOAT1F7F3
Ammonia Solution, Strong SCHEMBL21683086 0.94 FAAH (0.48) FAAHTRPV1SOAT1F7F3

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