SCHEMBL9484239

SCHEMBL9484239

CC1(C)COC(c2ccccc2CCCCCCCCc2ccccc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
HRH3 Q9Y5N1 2/20 0.38
SIGMAR1 Q99720 3/20 0.36
BID P55957 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9791278 0.96 KDM4E (0.44) KDM4EALDH1A1HTTATMHRH3
SCHEMBL10482290 0.90 KDM4E (0.41) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9485334 0.88 KDM4E (0.44) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9791057 0.88 KDM4E (0.44) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9560318 0.83 KDM4E (0.40) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9559970 0.81 KDM4E (0.39) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9791117 0.78 KDM4E (0.40) KDM4EALDH1A1HTTATMHRH3
SCHEMBL18380643 0.77 KDM4E (0.61) KDM4EALDH1A1HTTATMHRH3
SCHEMBL11630461 0.77 KDM4E (0.50) KDM4EALDH1A1HTTATMHRH3
SCHEMBL9791059 0.76 HRH3 (0.57) KDM4EHTTHRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194302-A None JP disclosed
JP-H05194302-A ALDEHYDE INTERMEDIATE FOR PREPARATION OF LEUKOTRIENE ANTAGONIST SMITHKLINE BECKMAN CORP 1993-08-03 JP disclosed
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
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-0313697-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-05-03 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
EP-0296732-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