SCHEMBL1078929

SCHEMBL1078929

O=C1COC(c2ccccc2)=NN1Cc1cc[c]c(C2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
PGR P06401 1/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
CYP2D6 P10635 1/20 0.34
MAOB P27338 2/20 0.33
IL4I1 Q96RQ9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4426472 0.79 KMT2A (0.48) KMT2APGRPDE4APDE4BPDE4C
SCHEMBL1081701 0.77 KMT2A (0.35) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL1724682 0.74 KMT2A (0.36) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL1079340 0.71 MAOB (0.37) KMT2APGRPDE4APDE4BPDE4C
SCHEMBL517093 0.71 ALOX5 (0.39) KMT2ACYP2D6MAOB
SCHEMBL1081920 0.71 ALOX5 (0.39) KMT2ACYP2D6MAOB
SCHEMBL1080923 0.70 GAA (0.45) KMT2APGRCYP2D6MAOBALDH1A1
SCHEMBL1078878 0.70 KMT2A (0.44) KMT2ACYP2D6MAOBALDH1A1GAA
SCHEMBL6763603 0.69 MAOB (0.45) KMT2AMAOBIL4I1
SCHEMBL3692812 0.68 HTT (0.37) KMT2APGRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406215-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-01-18 EP disclosed
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2010102717-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-16 WO disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed