SCHEMBL6638331

SCHEMBL6638331

COC(=O)COc1ccc(OC(C)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.50
CXCR2 P25025 3/20 0.50
ALDH1A1 P00352 4/20 0.44
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.41
PPARD Q03181 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 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
SCHEMBL12945425 0.80 LMNA (0.56) ALDH1A1PTGS2PPARDMAPTLMNA
SCHEMBL7476275 0.80 ALDH1A1 (0.55) ALDH1A1F2GLAHPGDMAPT
SCHEMBL12476341 0.78 CXCR1 (0.61) CXCR1CXCR2SMN1; SMN2MAPTPOLB
SCHEMBL6638177 0.78 CXCR1 (0.55) CXCR1CXCR2SMN1; SMN2PTGS2MAPT
SCHEMBL27703439 0.77 ALDH1A1 (0.42) ALDH1A1F2GLAHPGDMAPT
SCHEMBL5845815 0.76 CXCR1 (0.53) CXCR1CXCR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2549786 0.76 KDM4E (0.57) CXCR1CXCR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL27374761 0.76 L3MBTL1 (0.57) ALDH1A1F2GLAHPGDMAPT
SCHEMBL12476476 0.75 CXCR1 (0.57) CXCR1CXCR2SMN1; SMN2MAPTPOLB
SCHEMBL15327912 0.75 CXCR1 (0.57) CXCR1CXCR2SMN1; SMN2MAPTPOLB

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-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed