SCHEMBL4639330

SCHEMBL4639330

C=CCCOc1cc(-c2nc(CC(=O)Cc3ccccc3OC(C)C)co2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 3/20 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
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LMNA P02545 2/20 0.33
PARP1 P09874 1/20 0.33
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 0.92 PARP1 (0.41) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4641257 0.90 FPR2 (0.37) KDM4EHDAC1HDAC2HDAC8HDAC6
SCHEMBL4639772 0.89 DCK (0.37) KDM4EHDAC1HDAC2HDAC8HDAC6
SCHEMBL4640424 0.89 KDM4E (0.39) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL5592764 0.89 PARP1 (0.39) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4640682 0.86 PDE4A (0.43) KDM4EHDAC1HDAC8HDAC6MAPT
SCHEMBL4641231 0.85 LMNA (0.36) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4639512 0.85 LMNA (0.38) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4641121 0.85 KDM4E (0.42) KDM4EMAPTKMT2AMEN1USP2
SCHEMBL4639629 0.85 PARP1 (0.44) KDM4EMAPTKMT2AMEN1USP2

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-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed