SCHEMBL8464452

SCHEMBL8464452

COc1cccc(OC)c1CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
SIGMAR1 Q99720 1/20 0.49
HTR2A P28223 1/20 0.49
BCHE P06276 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL27302478 0.88 ABCB1 (0.54) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL7062037 0.82 HTR2A (0.48) SIGMAR1HTR2A
SCHEMBL3606088 0.81 POLB (0.48) HTR2A
SCHEMBL29463722 0.81 SIGMAR1 (0.65) SIGMAR1HTR2ATAAR1ABCB1
SCHEMBL9571819 0.81 SIGMAR1 (0.65) SIGMAR1HTR2ATAAR1ABCB1
SCHEMBL28880178 0.79 NR3C1 (0.43) SIGMAR1HTR2A
SCHEMBL27528098 0.79 HTR2A (0.42) HTR1AADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL3728677 0.78 LTA4H (0.52) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL6898660 0.78 ALOX5 (0.53) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8464775 0.77 HPGD (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682662-B1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS HOFFMANN LA ROCHE (CH) 1999-08-18 EP disclosed
CN-1117290-A Bicyclic carboxylic acid leukotriene B4 antagonists HOFFMANN LA ROCHE (CH) 1996-02-21 CN disclosed
EP-0682662-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B 4? ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-11-22 EP disclosed
US-5457124-A Antiinflammatory agent HOFFMANN-LA ROCHE INC. (US) 1995-10-10 US disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
WO-1995015956-A1 BICYCLIC CARBOXYLIC ACID LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-06-15 WO disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
CN-1071423-A BICYCLIC CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 1993-04-28 CN disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed