SCHEMBL9559883

SCHEMBL9559883

CCCCCCCCCCCOc1ccc(OC)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 1/20 0.54
TUBB1 Q9H4B7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
ERN1 O75460 2/20 0.49
SMPD1 P17405 3/20 0.46
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
PLA2G4B P0C869 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL27500190 0.95 KDM4E (0.58) KDM4ERAB9ATUBB1ALDH1A1CYSLTR2
SCHEMBL8702506 0.90 ALDH1A1 (0.61) KDM4ERAB9AALDH1A1CYSLTR2CYSLTR1
SCHEMBL5885093 0.89 TUBB1 (0.59) KDM4ERAB9ATUBB1ALDH1A1ERN1
SCHEMBL8067102 0.88 ALDH1A1 (0.63) KDM4ERAB9AALDH1A1CYSLTR2CYSLTR1
SCHEMBL15728130 0.88 TUBB1 (0.61) KDM4ERAB9ATUBB1ALDH1A1ERN1
SCHEMBL1790721 0.85 TUBB1 (0.50) KDM4ERAB9ATUBB1ALDH1A1ERN1
SCHEMBL5989964 0.85 CYSLTR2 (0.47) ALDH1A1CYSLTR2CYSLTR1SMPD1PLA2G4B
SCHEMBL3696707 0.85 CYSLTR2 (0.47) ALDH1A1CYSLTR2CYSLTR1SMPD1PLA2G4B
SCHEMBL8508183 0.85 CYSLTR2 (0.47) ALDH1A1CYSLTR2CYSLTR1SMPD1PLA2G4B
SCHEMBL13191485 0.84 ALDH1A1 (0.67) KDM4ERAB9AALDH1A1ERN1TRIM24

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