SCHEMBL30367352

SCHEMBL30367352

CC/C=C\CCOC(=O)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 5/20 0.51
TSHR P16473 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT5 Q9NXA8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL111558 1.00 TDP1 (0.61) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL397286 1.00 TDP1 (0.61) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL111557 1.00 TDP1 (0.61) TDP1ALDH1A1TSHRL3MBTL1LMNA
Salicylic Acid SCHEMBL1868664 0.94 TDP1 (0.55) TDP1ALDH1A1TSHRL3MBTL1LMNA
2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL29088839 0.91 ALDH1A1 (0.63) TDP1ALDH1A1TSHRL3MBTL1LMNA
Benzyl Salicylate SCHEMBL28291087 0.91 TDP1 (0.68) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL1868662 0.91 ALDH1A1 (0.52) TDP1ALDH1A1TSHRL3MBTL1LMNA
2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL29088840 0.91 ALDH1A1 (0.63) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL31325421 0.89 TDP1 (0.63) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL29141613 0.87 TDP1 (0.58) TDP1ALDH1A1TSHRL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925733-B2 Malodor counteractant composition and methods BELL FLAVORS & FRAGRANCES, INC. (US) 2024-03-12 US disclosed
EP-3541355-B1 MALODOR COUNTERACTANT COMPOSITION AND METHODS BELL FLAVORS AND FRAGRANCES INC (US) 2023-06-07 EP disclosed