SCHEMBL828869

SCHEMBL828869

O=C(O)CCCn1nnnc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11388020 0.93 PTGS1 (0.41) KDM4ETSHRLMNA
SCHEMBL11397997 0.93 PTGS1 (0.41) KDM4ETSHRLMNA
SCHEMBL11388439 0.93 PTGS1 (0.41) KDM4ETSHRLMNA
SCHEMBL829121 0.89 EGLN3 (0.44) ALDH1A1KMOCYP1A2MAPK1EGLN3
SCHEMBL11388926 0.86 CYP1A2 (0.36) ALDH1A1TSHRATMHTTCYP1A2
Tetrazole SCHEMBL9733152 0.85 KDM4E (0.36) KDM4EGABRA1GABRB2GABRPGABRD
SCHEMBL11356709 0.83 CA1 (0.34) HTTCYP1A2HSD11B1
SCHEMBL11398131 0.79 CYP1A2 (0.34) TSHRHTTCYP1A2HSD11B1
SCHEMBL10968077 0.79 KDM4E (0.50) KDM4EGABRA1GABRB2GABRPGABRD
SCHEMBL829258 0.77 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296731-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-08-26 EP claimed
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP claimed
EP-1728898-B1 Electrolytes for the deposition of gold alloys ROHM & HAAS ELECT MAT (US) 2017-02-22 EP disclosed
US-8142637-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-27 US disclosed
US-20090104463-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC 2009-04-23 US disclosed
US-7465385-B2 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-12-16 US disclosed
US-20060283714-A1 Gold alloy electrolytes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-12-21 US disclosed
EP-1728898-A2 Electrolytes for the deposition of gold alloys Rohm and Haas Electronic Materials LLC (US) 2006-12-06 EP disclosed
US-5348952-A Antibiotics for antiinflammatory agents, degenerative diseases caused by proteolytic enzymes and respiratory system disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-20 US disclosed
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 EP disclosed
US-5143931-A 2-Phenyl-2((tetrazolyl or imidazolyl)thio)alkanoic acid derivatives; antiphylactic and bronchodilator agents SMITHKLINE BEECHAM CORPORATION (US) 1992-09-01 US disclosed
US-5135938-A Bronchodilator SMITHKLINE BEECHAM CORPORATION (US) 1992-08-04 US disclosed
US-5066573-A Sulfur containing compound which functions as a bleach accereration agent FUJI PHOTO FILM CO., LTD. (JP) 1991-11-19 US disclosed
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed
US-4737452-A WITH AROMATIC COMPOUND CONTAINING MERCAPTO AND HYDROZIDE GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1988-04-12 US disclosed
US-4550070-A Direct positive silver halide photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1985-10-29 US disclosed
EP-0154293-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1985-09-11 EP disclosed
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed
US-4100346-A Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids BRISTOL-MYERS COMPANY (US) 1978-07-11 US disclosed