SCHEMBL10640503

SCHEMBL10640503

N#CC([C]=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KEAP1 Q14145 1/20 0.38
PGR P06401 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL7596019 0.87 ALOX5 (0.43) ALOX5CES2CES1KEAP1PGR
SCHEMBL10458682 0.87 ALOX5 (0.43) ALOX5CES2CES1KEAP1MAPT
SCHEMBL2171539 0.71
SCHEMBL6997313 0.71
SCHEMBL144120 0.71
SCHEMBL11325649 0.71
SCHEMBL9274944 0.71 ALOX5 (0.37) ALOX5CES2CES1KEAP1PGR
SCHEMBL7440903 0.71
SCHEMBL22551753 0.71
SCHEMBL4402179 0.71

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735937-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4668781-A Ceph-3-one compounds and process for their manufacture CIBA-GEIGY CORPORATION (US) 1987-05-26 US disclosed
US-4591642-A Cephem and cepham derivatives CIBA-GEIGY CORPORATION (US) 1986-05-27 US disclosed
US-4579684-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1986-04-01 US disclosed
US-4550162-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1985-10-29 US disclosed
US-4477658-A Process for the preparation of cepham and cephem compounds CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed
US-4458069-A Cephalosporin compounds CIBA-GEIGY CORPORATION (US) 1984-07-03 US disclosed
US-4434287-A Cephalosporin derivatives CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4430498-A 8-Oxo-5-thia-1-azabicyclo(4,2,0)oct-2-ene compounds CIBA-GEIGY CORPORATION (US) 1984-02-07 US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 US disclosed
US-4269977-A Process for the manufacture of 8-oxo-5-thia-1-azabicyclo [4,2,0]oct-2-ene or 3-ene compounds CIBA-GEIGY CORPORATION (US) 1981-05-26 US disclosed
US-4256739-A 7β-Amino-3-thio-3-cephem-4-carboxylic acid compounds, and antibacterial compositions and methods using them CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4172832-A Mercaptoalcohols and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-10-30 US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed