SCHEMBL9560067

SCHEMBL9560067

CCOC(=O)C(F)C(O)c1ccccc1CCCCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.47
CYSLTR1 Q9Y271 11/20 0.47
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL9559793 0.77 CYSLTR2 (0.48) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9560072 0.76 CYSLTR2 (0.52) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL30273383 0.72 MMP8 (0.51) SMN1; SMN2
SCHEMBL9560211 0.72 CYSLTR2 (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL8166768 0.72 TDP1 (0.61) SMN1; SMN2
SCHEMBL11207050 0.72 TDP1 (0.61) SMN1; SMN2
SCHEMBL11214126 0.72 TDP1 (0.61) SMN1; SMN2
SCHEMBL11206749 0.72 TDP1 (0.61) SMN1; SMN2
SCHEMBL9428460 0.72 CYSLTR2 (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9561170 0.71 CYSLTR2 (0.75) CYSLTR2CYSLTR1CYP4F2CYP4A11

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 8 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
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed