SCHEMBL9866552

SCHEMBL9866552

CC(=O)Oc1ccc(C(Br)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TOP1 P11387 2/20 0.40
CFD P00746 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
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
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL9866936 0.87 TOP1 (0.43) TSHRALDH1A1KDM4EGAATOP1
SCHEMBL9867838 0.83 KDM4E (0.53) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL9866994 0.82 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL9868777 0.82 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL8174987 0.78 CES2 (0.57) ALDH1A1KDM4ECES2CES1ESR1
SCHEMBL10529004 0.76 TSHR (0.47) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL9867546 0.74 ALDH1A1 (0.41) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL8871264 0.74 NPC1 (0.35) TSHRALDH1A1KDM4ERAB9ACES2
SCHEMBL9867553 0.74 CHRM2 (0.41) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL7658156 0.74 TSHR (0.51) TSHRALDH1A1KDM4EGAARAB9A

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 10 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-0266060-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-05-04 EP 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