SCHEMBL4970895

SCHEMBL4970895

COCC(C)Nc1cc[c]c(C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
HPGD P15428 3/20 0.35
POLB P06746 3/20 0.35
PDE10A Q9Y233 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
FPR2 P25090 2/20 0.34
SCN9A Q15858 2/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 4/20 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
SCHEMBL2789757 0.85 FPR2 (0.43) HCAR3FPR2SCN9ASYK
SCHEMBL2793488 0.85 HCAR3 (0.43) HCAR3FPR2SCN9AHIPK2ALDH1A1
SCHEMBL4970727 0.85 HCAR3 (0.43) HCAR3FPR2SCN9AHIPK2ALDH1A1
SCHEMBL2791507 0.78 HCAR3 (0.44) HCAR3HPGDCLK4IRAK4ALDH1A1
SCHEMBL2790959 0.76 ALDH1A1 (0.40) HCAR3HPGDPOLBJAK3PIM1
SCHEMBL13685106 0.75 NUDT1 (0.47) MAP4K4KDM4EMAPK14
SCHEMBL6302473 0.73 TSHR (0.41) ALDH1A1HTTMAPTSYKTDP1
SCHEMBL2790826 0.73 HCAR3 (0.37) HCAR3HPGDJAK2JAK3CDK2
SCHEMBL2789599 0.73 ACACB (0.33) HPGDALDH1A1HTTRAB9AACACB
SCHEMBL3096810 0.71 KDM4E (0.42) SCN9AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO claimed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed