SCHEMBL9734696

SCHEMBL9734696

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.46
THRB P10828 7/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NFKB1 P19838 1/20 0.45
CFD P00746 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPK1 P28482 1/20 0.42
THRA P10827 6/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
RXRA P19793 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL11163374 0.90 HTT (0.46) TOP1THRBGAAALDH1A1TSHR
SCHEMBL11155198 0.89 THRB (0.49) THRBGAAALDH1A1TSHRTDP1
SCHEMBL11166903 0.83 MEN1 (0.41) TOP1THRBGAAALDH1A1TSHR
SCHEMBL28717635 0.81 THRB (0.45) THRBGAAALDH1A1THRAITGB3
SCHEMBL6221035 0.80 GAA (0.56) GAAALDH1A1TSHRTDP1NFKB1
SCHEMBL9360555 0.80 GAA (0.56) GAAALDH1A1TSHRTDP1NFKB1
SCHEMBL7658347 0.79 TOP1 (0.47) TOP1GAAALDH1A1TSHRTDP1
Methane SCHEMBL10372267 0.79 GAA (0.54) GAAALDH1A1TSHRTDP1NFKB1
SCHEMBL28377209 0.78 ADORA3 (0.58) GAAALDH1A1TSHRTDP1MAPK1
SCHEMBL717127 0.77 PTGS2 (0.55) TOP1ALDH1A1TSHRTDP1CFD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP claimed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US claimed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP claimed
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP disclosed
US-5001121-A Cephalosporin compounds and pharmaceutical compositions thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-03-19 US disclosed
US-4988687-A Thiazoleoxyimineacetamido carboxymethylpyridinium derivatives of cephalosporins BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-29 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-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
US-4840945-A ANTIBIOTICS EFFECTIVE AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-06-20 US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 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