SCHEMBL4640424

SCHEMBL4640424

COc1ccc(-c2nc(CC(=O)Cc3ccccc3OC(C)C)co2)cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4639512 0.95 LMNA (0.38) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4641121 0.94 KDM4E (0.42) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4639475 0.92 KDM4E (0.38) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4639857 0.92 S1PR1 (0.40) KDM4EHSD17B10LMNAS1PR1S1PR3
SCHEMBL4640682 0.91 PDE4A (0.43) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL5592984 0.91 LMNA (0.36) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4641231 0.90 LMNA (0.36) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL5592764 0.90 PARP1 (0.39) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4639554 0.90 PARP1 (0.41) KDM4EALDH1A1HSD17B10USP2MAPT
SCHEMBL4639330 0.89 KDM4E (0.35) KDM4EALDH1A1HSD17B10USP2MAPT

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