SCHEMBL9485334

SCHEMBL9485334

CCCCCCCCCCCCc1ccccc1C1=NC(C)(C)CO1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GPR3 P46089 1/20 0.36
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.35
CYSLTR2 Q9NS75 4/20 0.34
CYSLTR1 Q9Y271 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9791057 1.00 KDM4E (0.44) KDM4EATMALDH1A1HTTLIPG
SCHEMBL10482290 0.91 KDM4E (0.41) KDM4EATMALDH1A1HTTLIPG
SCHEMBL9791240 0.88 KDM4E (0.44) KDM4EATMALDH1A1HTTLIPG
SCHEMBL9484239 0.88 KDM4E (0.43) KDM4EATMALDH1A1HTTHRH3
SCHEMBL9791237 0.85 KDM4E (0.42) KDM4EATMALDH1A1HTTLIPG
SCHEMBL9560318 0.84 KDM4E (0.40) KDM4EATMALDH1A1HTTKCNH2
SCHEMBL9791278 0.83 KDM4E (0.44) KDM4EATMALDH1A1HTTHRH3
Iodomethane SCHEMBL9791137 0.83 KDM4E (0.40) KDM4EATMALDH1A1HTTLIPG
SCHEMBL9559970 0.82 KDM4E (0.39) KDM4EATMALDH1A1HTTHRH3
SCHEMBL16508608 0.82 KDM4E (0.51) KDM4EATMALDH1A1HTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP disclosed
EP-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 US 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
EP-0296731-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-08-26 EP disclosed
US-5135938-A Bronchodilator SMITHKLINE BEECHAM CORPORATION (US) 1992-08-04 US disclosed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
US-5034537-A Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens SMITHKLINE BEECHAM CORPORATION (US) 1991-07-23 US disclosed
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US disclosed
US-4871771-A PHENYL SUBSTITUTED-DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-03 US disclosed
EP-0327306-A2 Leukotriene B4 antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-08-09 EP disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US disclosed
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 US disclosed
EP-0168902-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-09-30 EP disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 EP disclosed