SCHEMBL9867909

SCHEMBL9867909

CC(=O)Oc1ccc(C(=O)O)c(C)c1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
CFD P00746 2/20 0.54
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 3/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL11130469 0.89 CFD (0.58) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL642776 0.85 MAPK1 (0.71) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL27530755 0.83 MAPT (0.57) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL10546986 0.83 MAPK1 (0.52) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL27264247 0.82 CFD (0.54) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL19138866 0.82 CFD (0.54) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL9356004 0.81 MAPK1 (0.60) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL16034548 0.81 KDM4E (0.51) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL6723425 0.81 KDM4E (0.51) MAPK1CFDKDM4EHSD17B10ALDH1A1
SCHEMBL9328943 0.79 PTPN1 (0.62) MAPK1CFDKDM4EHSD17B10ALDH1A1

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 9 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-0360298-A2 Intermediate compounds for use in the synthesis of cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP 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