SCHEMBL9560081

SCHEMBL9560081

O=C(O)C1OC1c1ccccc1CCCCCCCCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL9360639 0.89 ALDH1A1 (0.40) ALDH1A1TDP1USP2HPGDCYSLTR2
SCHEMBL9182392 0.82 BID (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9182382 0.82 BID (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9186310 0.82 BID (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9182404 0.82 BID (0.51) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9182720 0.81 BID (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9184749 0.81 BID (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9184743 0.81 BID (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1
Lithium SCHEMBL9184756 0.81 BID (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9188022 0.81 BID (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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-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