SCHEMBL9560038

SCHEMBL9560038

O=Cc1ccccc1CCCCCCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
TSHR P16473 1/20 0.36
CDK1 P06493 1/20 0.36
MGLL Q99685 1/20 0.33
THRA P10827 1/20 0.32
BID P55957 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL14465961 0.90 LMNA (0.52) THRBLMNAKMT2AMEN1BLM
SCHEMBL29350114 0.84 LMNA (0.50) THRBLMNAKMT2AMEN1BLM
SCHEMBL4623589 0.84 LMNA (0.50) THRBLMNAKMT2AMEN1BLM
SCHEMBL7026110 0.81 ALDH1A1 (0.36) THRBTDP1ALDH1A1LIPGMGLL
SCHEMBL7031317 0.81 ALDH1A1 (0.36) THRBTDP1ALDH1A1LIPGMGLL
SCHEMBL574810 0.81 LIPG (0.58) THRBLMNAKMT2AMEN1BLM
SCHEMBL9859793 0.81 LIPG (0.58) THRBLMNAKMT2AMEN1BLM
SCHEMBL28410253 0.81 LIPG (0.58) THRBLMNAKMT2AMEN1BLM
SCHEMBL20594223 0.81 LIPG (0.58) THRBLMNAKMT2AMEN1BLM
SCHEMBL6679819 0.81 LIPG (0.58) THRBLMNAKMT2AMEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025564-C Process for the preparation of phenyl epoxy hydroxy acid esters SMITHKLINE BECKMAN CORP (US) 1994-08-03 CN disclosed
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
CN-1008091-B Process for preparing leukotriene antagonists SMITHKLINE BECKMAN CORP (US) 1990-05-23 CN disclosed
CN-1040586-A Process for preparing leukotriene antagonists SMITHKLINE BECKMAN CORP (US) 1990-03-21 CN 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
CN-86102482-A Process for preparing leukotriene antagonists 1987-02-04 CN disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed