SCHEMBL5533332

SCHEMBL5533332

O=C(CC(O)Cc1ccccc1)OCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
TDP1 Q9NUW8 2/20 0.54
TRPV1 Q8NER1 1/20 0.52
APP P05067 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
FFAR1 O14842 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALOX5 P09917 2/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL27683839 0.86 TRPA1 (0.50) TRPA1TDP1TRPV1PPARGPPARA
SCHEMBL5829150 0.83 ALDH1A1 (0.58) TRPA1TDP1TRPV1PPARGPPARA
SCHEMBL5907642 0.82 TDP1 (0.56) TDP1APPHCAR2FFAR1ESR1
SCHEMBL5837006 0.82 TRPA1 (0.53) TRPA1TRPV1PPARGPPARANPC1
SCHEMBL12268225 0.82 TRPA1 (0.53) TRPA1TRPV1PPARGPPARANPC1
SCHEMBL11670330 0.82 TDP1 (0.56) TDP1APPHCAR2FFAR1ESR1
SCHEMBL31448302 0.82 TRPA1 (0.53) TRPA1TRPV1PPARGPPARANPC1
SCHEMBL114173 0.80 TDP1 (0.58) TDP1APPHCAR2FFAR1ESR1
SCHEMBL28505436 0.80 TDP1 (0.58) TDP1APPHCAR2FFAR1ESR1
SCHEMBL7560570 0.80 TDP1 (0.46) TRPA1TDP1APPHCAR2ESR1

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
CN-115175658-A Perfume system for perfumed consumer products 弗门尼舍有限公司 2022-10-11 CN disclosed
US-20070099818-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 US disclosed