SCHEMBL29131376

SCHEMBL29131376

CC/C=C\CCC/C=C\O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CYP19A1 P11511 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
PPARG P37231 3/20 0.45
OXER1 Q8TDS5 3/20 0.45
PTGS1 P23219 3/20 0.45
PPARA Q07869 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
RXRA P19793 2/20 0.45
MAPT P10636 3/20 0.42
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
FFAR1 O14842 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL873098 1.00 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL28038365 1.00 ALDH1A1 (0.45) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL7298871 0.94 ALDH1A1 (0.47) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL6473112 0.92 ALDH1A1 (0.50) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL7287217 0.92 ALDH1A1 (0.50) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL8332555 0.92 ALDH1A1 (0.50) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL7290495 0.88
SCHEMBL4467077 0.85 ALDH1A1 (0.60) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL4557758 0.85 ALDH1A1 (0.60) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL17416905 0.85 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117015593-A Use of enzymes for improving fragrance deposition 诺维信公司 2023-11-07 CN disclosed