SCHEMBL6568190

SCHEMBL6568190

C/C=C/CCCCCC/C=C/OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.40
CYP3A4 P08684 4/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
RECQL P46063 3/20 0.39
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 8/20 0.38
F7 P08709 5/20 0.38
F3 P13726 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP19A1 P11511 3/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
OXER1 Q8TDS5 2/20 0.38
FFAR1 O14842 2/20 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
SCHEMBL6568193 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL31019570 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL5530196 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL20503587 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL5530775 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL31703821 1.00 SOAT1 (0.40) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL3194497 0.94 SOAT1 (0.34) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL17674565 0.90 PPARG (0.33) ALDH1A1ALOX15PPARGPPARDPPARA
SCHEMBL27133071 0.89 SOAT1 (0.49) SOAT1CYP3A4LMNAMAPTRECQL
SCHEMBL29196128 0.87 SOAT1 (0.51) SOAT1CYP3A4LMNAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887336-B1 Precursor compounds GIVAUDAN SA (CH) 2004-01-07 EP disclosed
EP-0887338-B1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN SA (CH) 2002-10-09 EP disclosed
EP-1223160-A2 Carbonates for the delivery of aldehydes and/or ketones Givaudan SA (CH) 2002-07-17 EP disclosed
US-6232487-B1 FLAVORS, PERFUMES GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-15 US disclosed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed
EP-0887338-A1 Carbonates for the delivery of aldehydes and/or ketones GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP disclosed