SCHEMBL6947612

SCHEMBL6947612

C=CCc1ccc(OC(=O)OCc2ccccc2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
CYP3A4 P08684 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
PTGS1 P23219 2/20 0.64
ALDH1A1 P00352 4/20 0.57
PPARA Q07869 3/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50

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
Eugenyl Acetate SCHEMBL1579493 0.88 PTGS1 (0.77) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL24589174 0.84 CA12 (0.51) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL20152942 0.84 ALOX5 (0.70) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL12986431 0.84 PTGS1 (0.69) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL2556525 0.83 PTGS1 (0.76) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL873274 0.82 MEN1 (0.73) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL29394019 0.82 MEN1 (0.73) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL31089296 0.82 MEN1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenyl Benzoat SCHEMBL357066 0.82 MEN1 (1.00) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL28848683 0.82 PTGS1 (0.78) MEN1KMT2ACYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP claimed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US claimed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
EP-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP disclosed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US disclosed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed