SCHEMBL2490611

SCHEMBL2490611

CCC(CC)Oc1cc2ccccc2n1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 9/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MCL1 Q07820 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DAO P14920 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CCR2 P41597 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3847463 0.79 MCL1 (0.45) OXER1NOD2NOD1MCL1MEN1
SCHEMBL20168569 0.71 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL1465607 0.70 NOD2 (0.47) OXER1NOD2NOD1MEN1KMT2A
SCHEMBL8187971 0.70 OXER1 (0.43) OXER1NOD2NOD1MCL1DAO
SCHEMBL7551690 0.70 OXER1 (0.59) OXER1PPARGNOD2NOD1MCL1
SCHEMBL30343692 0.70 MCL1 (0.49) OXER1NOD2NOD1MCL1MEN1
SCHEMBL5967722 0.70 MCL1 (0.49) OXER1NOD2NOD1MCL1MEN1
SCHEMBL8907557 0.69 OXER1 (0.47) OXER1NOD2NOD1MCL1MEN1
SCHEMBL5511085 0.68 NOD2 (0.44) OXER1NOD2NOD1MEN1KMT2A
SCHEMBL4056238 0.68 NOD2 (0.50) NOD2NOD1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed