SCHEMBL5498935

SCHEMBL5498935

N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.47
KDM4E B2RXH2 7/20 0.47
TDP1 Q9NUW8 7/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
SLC15A2 Q16348 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
NR1I2 O75469 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HIF1A Q16665 1/20 0.42
BLM P54132 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9567700 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL12047940 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL2150205 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL5498934 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
SCHEMBL2150208 1.00 HSD17B10 (0.47) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL10671526 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL9481622 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL3912152 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL5147558 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1
Hydrochloric Acid SCHEMBL5147561 0.99 HSD17B10 (0.46) HSD17B10KDM4ETDP1TSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 EP disclosed
EP-0223246-B1 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-02 EP disclosed
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5194432-A Drugs for treatment of infectious diseases; microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-16 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4960766-A SUBSTITUTED 2-PYRAZOLIOMETHYL GROUP AND A 7-(AMINOTHIAZOLYL) (ALKOXYIMINO)-ACETAMIDO GROUP CEPHALOSPORIN DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 EP disclosed