SCHEMBL9560223

SCHEMBL9560223

CCCCCCCCCCCCc1ccccc1/C=C/CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
MMP2 P08253 2/20 0.42
SAE1 Q9UBE0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ECE1 P42892 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
MUS81 Q96NY9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41

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
SCHEMBL9560225 1.00 LIPG (0.51) LIPGTHRATHRBF7F3
SCHEMBL160810 0.98 LIPG (0.49) LIPGTHRATHRBF7F3
SCHEMBL12634528 0.93 CYP3A4 (0.43) LIPGTHRATHRBF7F3
SCHEMBL2447719 0.87 LIPG (0.50) LIPGTHRATHRBF7F3
SCHEMBL20424338 0.86 PTPN1 (0.39) LIPG
SCHEMBL29963724 0.86 PTPN1 (0.39) LIPG
SCHEMBL23406261 0.86 LIPG (0.44) LIPGTHRATHRBF7F3
SCHEMBL9802003 0.85 LIPG (0.49) LIPGTHRATHRBF7F3
SCHEMBL9802025 0.85 LIPG (0.49) LIPGTHRATHRBF7F3
SCHEMBL9801998 0.85 LIPG (0.49) LIPGTHRATHRBF7F3

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 7 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-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