SCHEMBL9560008

SCHEMBL9560008

OCc1ccccc1CCCCCCCBr

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.51
▸ CYP4A11 Q02928 2/20 0.51
▸ LIPG Q9Y5X9 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.39
▸ GLS O94925 2/20 0.38
▸ MPO P05164 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ BID P55957 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAK1 Q16611 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ GAA P10253 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
SCHEMBL9860715 0.89 LIPG (0.42) CYP4F2CYP4A11LIPGMGLLMPO
SCHEMBL2177804 0.89 LIPG (0.42) CYP4F2CYP4A11LIPGMGLLMPO
SCHEMBL9670333 0.87 TDP1 (0.42) CYP4F2CYP4A11LIPGMGLLMPO
SCHEMBL1171532 0.83 MGLL (0.56) MGLLMPOSLC6A4BIDBCL2L1
SCHEMBL9116334 0.83 MGLL (0.56) MGLLMPOSLC6A4BIDBCL2L1
SCHEMBL16238934 0.83 MGLL (0.56) MGLLMPOSLC6A4BIDBCL2L1
SCHEMBL11690539 0.82 APOBEC3G (0.44) CYP4F2CYP4A11APOBEC3GGLSMPO
SCHEMBL1171657 0.81 TAAR1 (0.54) MGLLMPOSLC6A4TAAR1
SCHEMBL31001652 0.79 TDP1 (0.43) CYP4F2CYP4A11LIPGMPOSLC6A4
SCHEMBL4403272 0.79 TDP1 (0.43) CYP4F2CYP4A11LIPGMPOSLC6A4

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
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