SCHEMBL9560139

SCHEMBL9560139

C#CCCCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 2/20 0.46
KDM5A P29375 3/20 0.37
PHF8 Q9UPP1 3/20 0.37
KDM2A Q9Y2K7 3/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
EPHX1 P07099 1/20 0.35
HLCS P50747 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL387459 0.91 CYP1A2 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL235643 0.81 CYP1A2 (0.42) SIGMAR1CYP1A2EPHX1MAPTHSD17B10
SCHEMBL728711 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7915243 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11310798 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL9194529 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL4466278 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2593251 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL9717338 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11440477 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 EP 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
US-4939279-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-07-03 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP 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-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 US 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