SCHEMBL4639396

SCHEMBL4639396

CCOc1cc(-c2nc(CC(=O)Cc3ccccc3C)co2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 3/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4639520 0.89 PARP1 (0.43) POLBKDM4EHSD17B10MAPTRAB9A
SCHEMBL4640557 0.88 PDE4A (0.44) LMNAMAPT
SCHEMBL4639422 0.88 SMN1; SMN2 (0.42) SMN1; SMN2S1PR1S1PR3POLBKDM4E
SCHEMBL4639857 0.88 S1PR1 (0.40) S1PR1S1PR3KDM4EHSD17B10LMNA
SCHEMBL4640544 0.87 PIK3CG (0.42) SMN1; SMN2KDM4EHSD17B10LMNAUSP2
SCHEMBL4640052 0.87 KDM4E (0.46) S1PR1S1PR3KDM4EHSD17B10LMNA
SCHEMBL5592710 0.86 S1PR1 (0.41) SMN1; SMN2S1PR1S1PR3POLBKDM4E
SCHEMBL4639660 0.86 KDM4E (0.41) SMN1; SMN2S1PR1S1PR3POLBKDM4E
SCHEMBL4639814 0.86 KDM4E (0.41) SMN1; SMN2S1PR1S1PR3POLBKDM4E
SCHEMBL4641238 0.86 LMNA (0.41) SMN1; SMN2S1PR1S1PR3POLBKDM4E

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