SCHEMBL4639334

SCHEMBL4639334

O=C(O)CCc1coc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.55
FFAR4 Q5NUL3 3/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 4/20 0.44
PTGER4 P35408 4/20 0.44
PTGER3 P43115 4/20 0.44
PTGER2 P43116 4/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
S1PR1 P21453 1/20 0.41

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
SCHEMBL4280795 0.94 KDM4E (0.54) FFAR1FFAR4KDM4EALDH1A1TSHR
SCHEMBL4277665 0.89 KDM4E (0.47) FFAR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4271756 0.88 TSHR (0.48) FFAR1FFAR4KDM4EALDH1A1TSHR
SCHEMBL27918456 0.86 FFAR1 (0.45) FFAR1FFAR4KDM4EALDH1A1TSHR
SCHEMBL4270615 0.86 SMPD1 (0.48) FFAR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4271285 0.86 KDM4E (0.52) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL4639705 0.84 TSHR (0.45) FFAR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4270587 0.84 ABCB1 (0.43) FFAR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4282880 0.83 TSHR (0.42) FFAR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL4270619 0.82 KDM4E (0.49) FFAR1KDM4EALDH1A1TSHRHSD17B10

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