SCHEMBL10736729

SCHEMBL10736729

CCOC(=O)ON=C(C#N)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
ALOX12 P18054 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30

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
SCHEMBL10736721 1.00 ALDH1A1 (0.41) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL11440259 1.00 ALDH1A1 (0.41) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL11265608 0.86 ALDH1A1 (0.47) ALDH1A1MAPTCYP2C9TSHRALOX15
SCHEMBL11265612 0.86 ALDH1A1 (0.47) ALDH1A1MAPTCYP2C9TSHRALOX15
SCHEMBL10941446 0.83 ALDH1A1 (0.39) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL10737430 0.81 TSHR (0.33) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL10737435 0.81 TSHR (0.33) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL11786885 0.79 CYP2C9 (0.44) ALDH1A1MAPTALOX12CYP2C9CYP1A2
SCHEMBL11329037 0.79 MAPT (0.44) MAPTALOX12CYP2C9CYP1A2CYP3A4
SCHEMBL8570905 0.79 CYP2C9 (0.44) ALDH1A1MAPTALOX12CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4698337-A Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0095029-B1 5-THIO-TETRAZOL COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-05 EP disclosed
US-4598147-A THIAZOLE INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-01 US disclosed
US-4582908-A CHEMICAL INTERMEDIATES OF CEPHALOSPORIN DERIVATIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-15 US disclosed
EP-0049539-B1 THIAZOLE DERIVATIVES FOR PREPARING CEPHEM COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-16 EP disclosed
EP-0029998-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 EP disclosed
US-4493834-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 US disclosed
US-4420477-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-13 US disclosed
EP-0095029-A1 5-Thio-tetrazol compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-30 EP disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 US disclosed
EP-0049539-A1 Thiazole derivatives for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-14 EP disclosed
US-RE30752-E CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 US disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0029998-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 EP disclosed
US-4010178-A Carbonic acid esters, and the preparation thereof and their use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-03-01 US disclosed
US-3976635-A Novel esterifying agents, and their production and use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-24 US disclosed