SCHEMBL7708182

SCHEMBL7708182

CCCCCCCC(O)CCC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
EPHX2 P34913 1/20 0.46
GPR84 Q9NQS5 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
DGKA P23743 2/20 0.41
MAPT P10636 1/20 0.40
ACE2 Q9BYF1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5188187 1.00 ALOX15 (0.55) ALOX15EPHX2GPR84FFAR4FFAR1
SCHEMBL7705558 0.99 ALOX15 (0.56) ALOX15EPHX2GPR84FFAR4FFAR1
SCHEMBL7706191 0.95 ALOX15 (0.55) ALOX15EPHX2GPR84FFAR4FFAR1
SCHEMBL8664640 0.89 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL2171493 0.89 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL19900625 0.89 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL19242397 0.89 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL560301 0.87 ALOX15 (0.63) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL28610509 0.86 DGKA (0.46) GPR84DGKAMAPTKDM4EDUSP3
SCHEMBL310419 0.86 ALOX15 (0.65) ALOX15EPHX2DGKAMAPT

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