SCHEMBL4639503

SCHEMBL4639503

CCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC(F)F)c(OCc3ccccc3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
CFD P00746 2/20 0.36
F11 P03951 1/20 0.36
TPSB2 P20231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL4641207 0.92 KDM4E (0.43) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL4641214 0.92 LMNA (0.39) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL5592765 0.91 TSHR (0.42) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL5592918 0.91 LMNA (0.39) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL4639709 0.89 LMNA (0.37) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL4639925 0.88 KDM4E (0.41) TSHRKMT2AKDM4ELMNAHSD17B10
SCHEMBL4639660 0.88 KDM4E (0.41) TSHRKMT2AKDM4ELMNAHSD17B10
SCHEMBL4641168 0.88 LMNA (0.35) KMT2AKDM4ELMNAHSD17B10NPC1
SCHEMBL4641365 0.87 LMNA (0.38) TSHRGAAKMT2AKDM4ELMNA
SCHEMBL4639383 0.87 PDE4D (0.42)

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 3 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-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed