SCHEMBL6679577

SCHEMBL6679577

CCCCCCC(C)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.46
CYSLTR1 Q9Y271 7/20 0.46
ALDH1A1 P00352 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CSNK1E P49674 1/20 0.37

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
SCHEMBL6682255 0.98 CYSLTR2 (0.43) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL6682017 0.93 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGNPSR1
SCHEMBL17027717 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL17027756 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL17027726 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL17027746 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL17027796 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL17027712 0.88 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1LIPGMEN1
SCHEMBL6684349 0.87 CSNK1E (0.42) CYSLTR2CYSLTR1ALDH1A1MEN1KMT2A
SCHEMBL10557002 0.86 CYSLTR2 (0.43) CYSLTR2CYSLTR1ALDH1A1LIPGPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed