SCHEMBL5592764

SCHEMBL5592764

C=CCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OC(C)C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY2R P49146 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL4639554 0.97 PARP1 (0.41) PARP1KDM4EMAPTKMT2AMEN1
SCHEMBL4639629 0.93 PARP1 (0.44) PARP1KDM4EMAPTKMT2AMEN1
SCHEMBL4640424 0.90 KDM4E (0.39) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4641121 0.90 KDM4E (0.42) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4639330 0.89 KDM4E (0.35) PARP1KDM4EMAPTKMT2AMEN1
SCHEMBL4639865 0.88 KDM4E (0.41) PARP1KDM4EMAPTKMT2AUSP2
SCHEMBL5592984 0.87 LMNA (0.36) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4639512 0.86 LMNA (0.38) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4639520 0.86 PARP1 (0.43) PARP1KDM4EMAPTKMT2AALDH1A1
SCHEMBL4639468 0.85 KDM4E (0.40) KDM4EMAPTKMT2AALDH1A1HSD17B10

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
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed