SCHEMBL7706191

SCHEMBL7706191

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
EPHX2 P34913 1/20 0.48
DGKA P23743 2/20 0.44
MAPT P10636 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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 0.95 ALOX15 (0.55) ALOX15EPHX2DGKAMAPTFFAR4
SCHEMBL7708182 0.95 ALOX15 (0.55) ALOX15EPHX2DGKAMAPTFFAR4
SCHEMBL7705558 0.94 ALOX15 (0.56) ALOX15EPHX2DGKAMAPTFFAR4
SCHEMBL8664640 0.91 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL2171493 0.91 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL19900625 0.91 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL19242397 0.91 ALOX15 (0.61) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL560301 0.90 ALOX15 (0.63) ALOX15EPHX2DGKAMAPTLMNA
SCHEMBL310419 0.88 ALOX15 (0.65) ALOX15EPHX2DGKAMAPTALDH1A1
SCHEMBL9162617 0.86 ALOX15 (0.56) ALOX15EPHX2DGKAMAPTALDH1A1

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