SCHEMBL6686645

SCHEMBL6686645

CCCCCC(C)c1ccccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6683043 0.98 ADH1B (0.39) MEN1KMT2ALMNATHRBBLM
SCHEMBL6682051 0.95 MEN1 (0.40) MEN1KMT2ALMNATHRBBLM
SCHEMBL7193225 0.88 LMNA (0.43) MEN1KMT2ALMNATHRBBLM
SCHEMBL8082979 0.83 PPARG (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL6859719 0.83 CSNK1E (0.39) MEN1KMT2AALDH1A1TSHRCYSLTR2
SCHEMBL29183951 0.82 CSNK1E (0.41) MEN1KMT2AALDH1A1TSHRCYSLTR2
SCHEMBL6678854 0.82 TSHR (0.43) MEN1KMT2AALDH1A1TSHRCYSLTR2
SCHEMBL1332960 0.81 CYSLTR2 (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL5837362 0.80 TSHR (0.53) MEN1KMT2ALMNATHRBBLM
SCHEMBL6684349 0.80 CSNK1E (0.42) MEN1KMT2AALDH1A1TSHRCYSLTR2

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