SCHEMBL8779405

SCHEMBL8779405

[CH2]c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.51
HTT P42858 2/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
BLM P54132 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.43
TNFSF11 O14788 1/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL9041869 0.88 TUBB4A (0.53) TOP1HTTALDH1A1MAPTKMT2A
SCHEMBL8765619 0.80 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL8765614 0.80 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL10053943 0.80 TOP1 (0.53) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL9042745 0.78 KDM4E (0.49) TOP1HTTKDM4EALDH1A1MAPT
SCHEMBL7959675 0.78 TOP1 (0.56) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL1089019 0.78 TUBB4A (0.47) TOP1HTTKDM4EALDH1A1BLM
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.77 KDM4E (0.63) TOP1HTTKDM4EALDH1A1BLM
SCHEMBL9360952 0.77 TSHR (0.58) TOP1KDM4EALDH1A1BLMTDP1
SCHEMBL10770955 0.76 TOP1 (0.54) 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 13 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
CN-104513207-B A kind of benzylalcohol ether compound and preparation method thereof, preparation and application 昆药集团股份有限公司 2017-06-20 CN disclosed
CN-104513207-A Benzyl alcohol ether compound, preparation method, preparation and application thereof KUNMING PHARMACEUTICAL GROUP 2015-04-15 CN disclosed
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP disclosed
US-5401853-A Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.R.L. (IT) 1995-03-28 US disclosed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP disclosed
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 EP disclosed
US-4988687-A Thiazoleoxyimineacetamido carboxymethylpyridinium derivatives of cephalosporins BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-29 US disclosed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed