SCHEMBL9019388

SCHEMBL9019388

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.49
HTT P42858 2/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
BLM P54132 4/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.40
TNFSF11 O14788 1/20 0.40
TSHR P16473 2/20 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
SCHEMBL11332622 0.89 TUBB4A (0.50) TOP1HTTALDH1A1MAPTKMT2A
SCHEMBL28468360 0.82 TOP1 (0.47) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL9679799 0.78 TSHR (0.55) TOP1KDM4EALDH1A1BLMTDP1
SCHEMBL8765619 0.77 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL8765614 0.77 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL10053943 0.77 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL10404868 0.76 CYP4F2 (0.46) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL6829778 0.75 LMNA (0.43) HTTKDM4EALDH1A1MAPTKMT2A
SCHEMBL7282741 0.75 LMNA (0.47) HTTKDM4EALDH1A1MAPTKMT2A
SCHEMBL8779405 0.75 TOP1 (0.51) TOP1HTTKDM4EALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150507-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR PRODUCING THE SAME AND COMPOSITIONS CONTAINING THEM MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP claimed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US claimed
EP-0150507-A2 Cephalosporin derivatives, processes for producing the same and compositions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1985-08-07 EP claimed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed