SCHEMBL9867985

SCHEMBL9867985

CC(=O)Oc1cccc(CC(=O)O)c1OC(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTPN1 P18031 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS2 P35354 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL9876858 0.88 MAPK1 (0.58) MAPK1FABP4FABP5PTPN1PPARG
SCHEMBL2875253 0.80 MAPK1 (0.47) MAPK1FABP4FABP5PTPN1KDM4E
SCHEMBL10584694 0.77 MAPK1 (0.56) MAPK1PTPN1PPARGPPARAPTGS2
SCHEMBL2381169 0.77 CXCL8 (0.56) MAPK1PPARGPPARAPTGS2TDP1
SCHEMBL22658649 0.74 MAPK1 (0.59) MAPK1PTPN1PPARGPPARAPTGS2
SCHEMBL29432877 0.74 MAPK1 (0.59) MAPK1PTPN1PPARGPPARAPTGS2
SCHEMBL18196768 0.72 MAPK1 (0.57) MAPK1PTPN1PPARGPPARAPTGS2
SCHEMBL24849172 0.72 GABRA1 (0.43) PTGS2TDP1KDM4EALDH1A1TSHR
SCHEMBL10442007 0.72 MAPK1 (0.45) MAPK1PTPN1PTGS2TDP1KDM4E
SCHEMBL11781040 0.71 MAPK1 (0.49) MAPK1FABP4FABP5PTPN1PPARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001121-A Cephalosporin compounds and pharmaceutical compositions thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-03-19 US disclosed
EP-0197409-B1 CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
US-4956474-A PHTHALIMIDOOXY OR AMINOXY COMPOUNDS FOR MAKING CEPHALOSPORINS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0359291-A1 Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed
US-4904791-A Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 US disclosed
US-4840945-A ANTIBIOTICS EFFECTIVE AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 US disclosed
EP-0197409-A1 Cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1986-10-15 EP disclosed
WO-1986005786-A1 CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed