SCHEMBL7702417

SCHEMBL7702417

CCCCCC(O)CCC(=O)OCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CTSK P43235 1/20 0.50
ALOX5 P09917 5/20 0.47
PTGES O14684 3/20 0.47
PPARG P37231 3/20 0.47
APP P05067 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
TRPA1 O75762 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 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
SCHEMBL7706200 0.99 TDP1 (0.51) TDP1CTSKALOX5PTGESPPARG
SCHEMBL22077691 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL22078120 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL22078395 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL28609534 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL22078375 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL22033612 0.85 ALDH1A1 (0.58) TDP1FFAR4FFAR1
SCHEMBL473563 0.84 TDP1 (0.64) TDP1CTSKALOX5PTGESPPARG
SCHEMBL873318 0.83 DGKA (0.66) TDP1CTSKALOX5APP
SCHEMBL3506704 0.83 DGKA (0.66) TDP1CTSKALOX5APP

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