SCHEMBL9545874

SCHEMBL9545874

CCCCCCCCCCC=CCOCC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
ASAH1 Q13510 1/20 0.43
LMNA P02545 2/20 0.41
FAAH O00519 2/20 0.41
EPHX2 P34913 2/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CERT1 Q9Y5P4 3/20 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
SCHEMBL9468671 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2SOAT2SOAT1
SCHEMBL18377331 0.79 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ASAH1LMNA
SCHEMBL11158758 0.79 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ASAH1LMNA
SCHEMBL15955454 0.77 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ASAH1LMNA
SCHEMBL10512429 0.76 LMNA (0.52) NPC1RAB9ASMN1; SMN2ASAH1LMNA
SCHEMBL9545871 0.75 EPHX2 (0.49) SOAT2SOAT1FAAHEPHX2CNR1
SCHEMBL25365282 0.74 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2SOAT2SOAT1
SCHEMBL16167176 0.74 CYP1A2 (0.47) SMN1; SMN2SOAT2SOAT1ASAH1LMNA
SCHEMBL17764771 0.74 CYP1A2 (0.47) SMN1; SMN2SOAT2SOAT1ASAH1LMNA
SCHEMBL16167086 0.74 CYP1A2 (0.47) SMN1; SMN2SOAT2SOAT1ASAH1LMNA

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-1993025521-A1 ARYL ALIPHATIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-12-23 WO disclosed