SCHEMBL9659596

SCHEMBL9659596

CON=C(C(=O)OC)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
DPP9 Q86TI2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
GPR35 Q9HC97 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
PHPT1 Q9NRX4 1/20 0.42
VCAM1 P19320 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9659586 1.00 DPP4 (0.43) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL9658211 0.88 TPMT (0.46) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL9658209 0.88 TPMT (0.46) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL17216604 0.80 SMN1; SMN2 (0.48) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL15851127 0.80 SMN1; SMN2 (0.48) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL531728 0.78 VCAM1 (0.64) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL9660133 0.77 HSP90AA1 (0.44) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL9660138 0.77 HSP90AA1 (0.44) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL10867932 0.74 SMN1; SMN2 (0.50) DPP4PREPDPP9ALDH1A1SMN1; SMN2
SCHEMBL9043211 0.73 CA1 (0.52) ALDH1A1HPGDMAPTLMNAMEN1

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
US-5079369-A N-acylating agent FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-07 US disclosed
US-4877873-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
US-4871860-A Syn-isomer of 3,7-disubstituted-3-cephem-4-caroxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 US disclosed
US-4804752-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-14 US disclosed
US-4544653-A BACTERICIDAL CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-01 US disclosed
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 US disclosed
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 US disclosed
US-4364943-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-21 US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 US disclosed
US-4316019-A AMIDATION BY A 2-ALKOXYIMINO-2-THIAZOLYLACETIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-16 US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed