SCHEMBL2984576

SCHEMBL2984576

CC/C=C/C/C=C/C/C=C/CCCCCCC(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
F7 P08709 6/20 0.60
F3 P13726 6/20 0.60
CYP19A1 P11511 5/20 0.60
PPARG P37231 5/20 0.60
MAPT P10636 4/20 0.60
OXER1 Q8TDS5 4/20 0.60
PPARD Q03181 4/20 0.60
PPARA Q07869 4/20 0.60
PTGS1 P23219 3/20 0.60
CYP3A4 P08684 3/20 0.60
ALOX15 P16050 3/20 0.60
HSD17B10 Q99714 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
FFAR1 O14842 3/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
FFAR4 Q5NUL3 2/20 0.60

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
SCHEMBL3213389 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL2229351 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL20553455 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL20553456 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL22635677 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL2984578 1.00 ALDH1A1 (0.60) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL3224652 0.98 ALDH1A1 (0.57) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL15463523 0.95 F7 (0.51) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL4308676 0.95 F7 (0.51) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL4308674 0.95 F7 (0.51) ALDH1A1F7F3CYP19A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7780999-B2 Reduced pressure distillation of an alcoholic mixture BACARDI & COMPANY LIMITED (CH) 2010-08-24 US disclosed
WO-2007143192-A2 REDUCED PRESSURE DISTILLATION OF AN ALCOHOLIC MIXTURE BACARDI & COMPANY LIMITED (CH) 2007-12-13 WO disclosed
US-20070281052-A1 Reduced pressure distillation of an alcoholic mixture BACARDI & COMPANY LIMITED (CH) 2007-12-06 US disclosed