SCHEMBL9360952

SCHEMBL9360952

[CH2]c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
TOP1 P11387 2/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
CFD P00746 2/20 0.47
PTGS1 P23219 2/20 0.46
TNFSF11 O14788 1/20 0.46
NR3C1 P04150 1/20 0.45
GAPDH P04406 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL4410176 0.90 TSHR (0.62) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL11401919 0.90 TNFSF11 (0.55) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL28742168 0.84 ACHE (0.46) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL29210434 0.82 KDM4E (0.44) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL18930726 0.78 TSHR (0.56) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL8779405 0.77 TOP1 (0.51) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL12094224 0.77 TSHR (0.60) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL29440769 0.77 KDM4E (0.67) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL1866980 0.77 KDM4E (0.67) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL8350024 0.77 TSHR (0.60) TSHRKDM4EALDH1A1GAARAB9A

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 20 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-102791803-B Composition for ultraviolet absorbing member and ultraviolet absorbing member using same SUMITOMO SEIKA CHEMICALS 2015-07-01 CN disclosed
US-8540904-B2 Composition for ultraviolet absorbent substance and ultraviolet absorbent substance comprising same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-09-24 US disclosed
US-20120313058-A1 COMPOSITION FOR ULTRAVIOLET ABSORBENT SUBSTANCE AND ULTRAVIOLET ABSORBENT SUBSTANCE COMPRISING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-12-13 US disclosed
CN-101125864-A Heteroaromatic inhibitor for fructose-1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2008-02-20 CN disclosed
CN-100349904-C Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-11-21 CN disclosed
CN-1900087-A Novel heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2007-01-24 CN disclosed
CN-1704423-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2005-12-07 CN disclosed
CN-1215076-C Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2005-08-17 CN disclosed
CN-1326459-A Novel heteroaromatic inhibitors of fructose-1, 6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2001-12-12 CN disclosed
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 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-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US 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-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 EP disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 EP disclosed
US-4280008-A CHEMICAL INTERMEDIATES FOR OPTICALLY ACTIVE AMINO ACIDS BASF AKTIENGESELLSCHAFT (DE) 1981-07-21 US disclosed