SCHEMBL128977

SCHEMBL128977

C#CCCCCCCCCC[O]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 3/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HLCS P50747 2/20 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
SCHEMBL12802812 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL135862 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL131691 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL129119 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL131798 1.00
SCHEMBL130922 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12802854 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL130492 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL330174 1.00 MAPT (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL130670 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638055-A1 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-15 EP claimed
EP-0403250-B1 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP claimed
EP-0638055-A4 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1994-10-19 EP claimed
US-5288900-A Crystallization of optical isomers of leukotriene antagonists using (R)-4-nitro-α-methylbenezenemethonamine SMITHKLINE BEECHAM CORPORATION (US) 1994-02-22 US claimed
EP-0552254-A1 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-28 EP claimed
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP claimed
WO-1993012054-A1 CRYSTALLIZATION OF OPTICAL ISOMERS OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-24 WO claimed
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP claimed
US-5214201-A Crystallization of optical isomers of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1993-05-25 US claimed
EP-0527175-A4 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP claimed
EP-0403250-A2 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP claimed
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US claimed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US claimed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP claimed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP claimed
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP claimed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US claimed
EP-0313697-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-05-03 EP claimed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US claimed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP claimed