SCHEMBL9868767

SCHEMBL9868767

CC(=O)Oc1cc(CBr)c(C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CFD P00746 2/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 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
SCHEMBL28617100 0.77 TNFSF11 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9866552 0.69 TSHR (0.43) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL28058117 0.69 ESR1 (0.61) KDM4EALDH1A1HPGDLMNAESR1
SCHEMBL4329995 0.69 HSD17B10 (0.65) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL2791448 0.68 PTGS2 (0.52) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9866940 0.68 CRHBP (0.41) KDM4EALDH1A1HPGDHSD17B10CFD
SCHEMBL9867546 0.68 ALDH1A1 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1202828 0.67 ALDH1A1 (0.58) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL2288266 0.67 TNFSF11 (0.42) KDM4EALDH1A1CFDPTGS2TSHR
SCHEMBL9866936 0.67 TOP1 (0.43) KDM4EALDH1A1HPGDLMNAHSD17B10

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
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