SCHEMBL4639772

SCHEMBL4639772

C=CCCOc1cc(-c2nc(CC(=O)Cc3ccccc3OCCF)co2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCK P27707 6/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
FPR2 P25090 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPY2R P49146 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 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
SCHEMBL4641257 0.93 FPR2 (0.37) HDAC1HDAC2HDAC8HDAC6KDM4E
SCHEMBL4639330 0.89 KDM4E (0.35) HDAC1HDAC2HDAC8HDAC6KDM4E
SCHEMBL5592932 0.88 DHODH (0.41) DCKHDAC1HDAC2HDAC8HDAC6
SCHEMBL4639629 0.87 PARP1 (0.44) KDM4ELMNAKMT2AMEN1USP2
SCHEMBL4271812 0.84 KDM4E (0.41) DCKHDAC1HDAC2HDAC8HDAC6
SCHEMBL4639422 0.83 SMN1; SMN2 (0.42) KDM4ELMNAFPR2USP2MAPT
SCHEMBL4639865 0.82 KDM4E (0.41) HDAC1HDAC8HDAC6KDM4ELMNA
SCHEMBL5592764 0.81 PARP1 (0.39) KDM4ELMNAKMT2AMEN1USP2
SCHEMBL5592687 0.81 FPR2 (0.37) KDM4ELMNAFPR2KMT2AMEN1
SCHEMBL4639554 0.81 PARP1 (0.41) KDM4ELMNAKMT2AMEN1USP2

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