SCHEMBL6686091

SCHEMBL6686091

CCCCCCC(C)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GRM2 Q14416 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.38
SOAT1 P35610 1/20 0.36
CSNK1E P49674 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 2/20 0.33

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
SCHEMBL29788766 1.00 L3MBTL1 (0.41) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL29788776 1.00 L3MBTL1 (0.41) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL6678913 0.98 L3MBTL1 (0.42) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL31159072 0.98 L3MBTL1 (0.42) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL6683981 0.93 L3MBTL1 (0.46) L3MBTL1GRM2TSHRALDH1A1NPSR1
SCHEMBL10490933 0.86 TSHR (0.41) L3MBTL1TSHRALDH1A1HPGD
SCHEMBL22255277 0.86 L3MBTL1 (0.36) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL22096787 0.85 L3MBTL1 (0.38) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL29788773 0.85 L3MBTL1 (0.35) L3MBTL1GRM2TSHRALDH1A1SOAT1
SCHEMBL29788788 0.84 AR (0.35) L3MBTL1GRM2TSHRHSD17B10

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