SCHEMBL9211674

SCHEMBL9211674

CCCCCC=CCC(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.50
FAAH O00519 5/20 0.46
TRPV1 Q8NER1 2/20 0.46
SOAT1 P35610 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL1138510 0.98 FAAH (0.50) GGPS1FAAHTRPV1SOAT1CYP1A2
Hydrochloric Acid SCHEMBL6895373 0.96 FAAH (0.48) GGPS1FAAHTRPV1SOAT1CYP1A2
Hydrochloric Acid SCHEMBL6893417 0.84 ALDH1A1 (0.47) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL10495290 0.83 FAAH (0.48) GGPS1FAAHTRPV1SOAT1CYP1A2
SCHEMBL165447 0.80 FAAH (0.50) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL9211167 0.80 FAAH (0.50) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL9202958 0.80 FAAH (0.50) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL9210560 0.80 FAAH (0.50) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL9211940 0.80 FAAH (0.50) FAAHTRPV1SOAT1CYP1A2CYP2C19
SCHEMBL21054942 0.79 FAAH (0.54) GGPS1FAAHTRPV1SOAT1CYP1A2

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