SCHEMBL2279343

SCHEMBL2279343

Cc1ccc2c(c1C(=O)O)-c1c(C3CCCCC3)c3ccccc3n1C[C@@H](N(CCNC(=O)OC(C)(C)C)Cc1ccccc1)CO2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
HTR4 Q13639 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
CNR2 P34972 1/20 0.31
ACACB O00763 2/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ACACA Q13085 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL4218773 0.91 PRKCA (0.44) PRKCAMMP12OPRM1OPRK1OPRD1
SCHEMBL2279340 0.89 PRKCA (0.42) PRKCAMMP12OPRM1OPRK1OPRD1
SCHEMBL2276740 0.84 PRKCA (0.49) PRKCAMMP12OPRM1OPRK1CNR2
SCHEMBL2276676 0.83 PRKCA (0.63) PRKCAMMP12OPRM1OPRK1OPRD1
SCHEMBL2281023 0.81 PRKCA (0.55) PRKCAMMP12OPRM1OPRK1CNR2
SCHEMBL2276362 0.81 PRKCA (0.56) PRKCAMMP12OPRM1OPRK1CNR2
SCHEMBL2276737 0.79 PRKCA (0.49) PRKCAMMP12OPRM1OPRK1CNR2
SCHEMBL2278878 0.79 PRKCA (0.43) PRKCAMMP12HTR4ACACBACACA
SCHEMBL394843 0.77 PRKCA (0.61) PRKCAMMP12CNR2ACACBACACA
SCHEMBL2277321 0.74 PRKCA (0.35) PRKCAMMP12ACACBACACA

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
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed