SCHEMBL7706200

SCHEMBL7706200

CCCCCCCC(O)CCC(=O)OCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CTSK P43235 1/20 0.49
TRPA1 O75762 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
ALOX5 P09917 4/20 0.46
PTGES O14684 3/20 0.46
PPARG P37231 3/20 0.46
DGKA P23743 1/20 0.46
APP P05067 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
GPR84 Q9NQS5 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
SCHEMBL7702417 0.99 TDP1 (0.53) TDP1CTSKTRPA1FFAR4FFAR1
SCHEMBL28609534 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL22078375 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL22078395 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL22078120 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL22033612 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL22077691 0.87 ALDH1A1 (0.58) TDP1FFAR4FFAR1MEN1ALDH1A1
SCHEMBL873318 0.85 DGKA (0.66) TDP1CTSKALOX5DGKAAPP
SCHEMBL3506704 0.85 DGKA (0.66) TDP1CTSKALOX5DGKAAPP
SCHEMBL873938 0.85 DGKA (0.66) TDP1CTSKALOX5DGKAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP claimed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed