SCHEMBL9866936

SCHEMBL9866936

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.43
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 3/20 0.38
BLM P54132 2/20 0.38
ESR1 P03372 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
BACE1 P56817 1/20 0.38
CFD P00746 2/20 0.37

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
SCHEMBL9866552 0.87 TSHR (0.43) TOP1HTTMAPK1ALDH1A1TDP1
SCHEMBL9865985 0.82 TOP1 (0.41) TOP1HTTMAPK1ALDH1A1TDP1
SCHEMBL8174987 0.78 CES2 (0.57) MAPK1ALDH1A1TDP1KDM4EESR1
SCHEMBL9866940 0.74 CRHBP (0.41) TOP1HTTMAPK1ALDH1A1TDP1
SCHEMBL9866994 0.72 ALDH1A1 (0.41) TOP1MAPK1ALDH1A1TDP1KDM4E
SCHEMBL9868777 0.72 ALDH1A1 (0.41) TOP1MAPK1ALDH1A1TDP1KDM4E
SCHEMBL9865994 0.70 CRHBP (0.39) TOP1HTTMAPK1ALDH1A1TDP1
SCHEMBL9413797 0.69 LMNA (0.44) ALDH1A1KDM4EESR1HPGDPOLB
SCHEMBL8871264 0.69 NPC1 (0.35) ALDH1A1KDM4EESR1HPGDTSHR
SCHEMBL1202828 0.69 ALDH1A1 (0.58) MAPK1ALDH1A1KDM4EESR1HSD17B10

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 7 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-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