SCHEMBL9866940

SCHEMBL9866940

CC(=O)Oc1cc(CC(=O)OC(c2ccccc2)c2ccccc2)cc(OC(=O)CBr)c1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TOP1 P11387 3/20 0.39
TSHR P16473 2/20 0.39
CFD P00746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN1 P18031 1/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34

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
SCHEMBL9865994 0.86 CRHBP (0.39) CRHBPCRHR2TOP1TSHRCFD
SCHEMBL9867553 0.76 CHRM2 (0.41) CRHBPCRHR2TSHRCFDHTT
SCHEMBL10441976 0.76 CRHBP (0.40) CRHBPCRHR2TOP1TSHRCFD
SCHEMBL9866936 0.74 TOP1 (0.43) TOP1TSHRCFDHTTALDH1A1
SCHEMBL2159876 0.73 CRHBP (0.53) CRHBPCRHR2TSHRSMN1; SMN2ALDH1A1
SCHEMBL9867128 0.73 ALDH1A1 (0.41) CRHBPCRHR2TSHRCFDHTT
SCHEMBL10442204 0.72 CRHBP (0.38) CRHBPCRHR2TOP1TSHRCFD
SCHEMBL4911331 0.72 CRHBP (0.69) CRHBPCRHR2TSHRSMN1; SMN2ALDH1A1
SCHEMBL9734696 0.70 TOP1 (0.46) TOP1TSHRCFDHTTALDH1A1
SCHEMBL9865985 0.70 TOP1 (0.41) TOP1TSHRHTTALDH1A1GAA

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