SCHEMBL6942984

SCHEMBL6942984

O=C(OCCc1ccccc1)OCC(COC(=O)OCCc1ccccc1)OC(=O)OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HCAR2 Q8TDS4 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
AKR1B10 O60218 3/20 0.45
AKR1B1 P15121 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 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
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 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
SCHEMBL983427 0.84 HCAR2 (0.61) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL16087782 0.80 TSHR (0.54) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL7029223 0.79 IDO1 (0.56) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL26828601 0.79 ALDH1A1 (0.46) L3MBTL1HCAR2TDP1ALDH1A1MAPK1
SCHEMBL26648035 0.79 ALDH1A1 (0.45) L3MBTL1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL2021869 0.78 HCAR2 (0.54) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL6644243 0.78 ESR1 (0.57) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL18092114 0.78 LMNA (0.68) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL2537713 0.78 ESR1 (0.57) L3MBTL1HCAR2ESR1ESR2TDP1
SCHEMBL6891621 0.77 HCAR2 (0.47) L3MBTL1HCAR2ESR1ESR2TDP1

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