SCHEMBL4046301

SCHEMBL4046301

CC(C)(C)OC(=O)NCCn1c(-c2ccccc2CO)c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
NPC1L1 Q9UHC9 3/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RY14 Q15391 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL772324 0.93 CNR2 (0.42) CNR2PRKCAMMP12NPC1L1CYP3A4
SCHEMBL793146 0.91 CNR2 (0.40) CNR2ACACBACACACYP3A4CYP2C19
SCHEMBL10283557 0.86 CNR2 (0.37) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL771603 0.83 CNR2 (0.37) CNR2PRKCAMMP12NPC1L1CYP3A4
SCHEMBL772007 0.81 CNR2 (0.40) CNR2PRKCAMMP12NPC1L1CYP3A4
SCHEMBL793072 0.80 CNR2 (0.36) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL792727 0.79 DRD2 (0.44) CNR2OPRM1OPRD1OPRK1OGFRL1
SCHEMBL773128 0.77 CNR2 (0.41) CNR2NPC1L1CYP3A4CYP2C19CYP2C9
SCHEMBL5307726 0.77 PRKCA (0.48) PRKCAMMP12CYP3A4CYP2C19CYP2D6
SCHEMBL13011489 0.76 CNR2 (0.57) CNR2HDAC6

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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed