SCHEMBL9658191

SCHEMBL9658191

CO/N=C(/C(=O)O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
PARP1 P09874 1/20 0.46
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 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
SCHEMBL9658196 1.00 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL10528948 0.85 CA12 (0.46) CA12CA1CA2CA6CA9
SCHEMBL9658314 0.85 HIF1A (0.55) CA12CA1CA2CA6CA9
SCHEMBL10529037 0.85 PARP1 (0.53) CA12CA1CA2CA6CA9
SCHEMBL9019977 0.85 HIF1A (0.55) CA12CA1CA2CA6CA9
SCHEMBL10529698 0.85 CA12 (0.46) CA12CA1CA2CA6CA9
SCHEMBL9658287 0.83 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL9658282 0.83 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL3689392 0.82 TSHR (0.48) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL8007984 0.82 TSHR (0.48) KDM4EGAAMAPTNPC1RAB9A

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 15 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-4411898-A CEPHALOSPORIN ANTIBACTERIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-25 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-4288436-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 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