SCHEMBL14764231

SCHEMBL14764231

CC(=O)OC(C)c1ccccc1.CC(=O)OCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MMP12 P39900 1/20 0.47
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HCAR2 Q8TDS4 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1B10 O60218 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
Benzene SCHEMBL19304565 0.84 ALDH1A1 (0.64) ALDH1A1MMP12L3MBTL1HCAR2ESR1
SCHEMBL4351183 0.84 ALDH1A1 (0.64) ALDH1A1MMP12L3MBTL1HCAR2ESR1
SCHEMBL111422 0.84 ALDH1A1 (0.64) ALDH1A1MMP12L3MBTL1HCAR2ESR1
SCHEMBL27547310 0.82 FFAR1 (0.46) ALDH1A1FFAR1L3MBTL1HCAR2ESR1
SCHEMBL28201295 0.82 ALDH1A1 (0.62) ALDH1A1MMP12L3MBTL1HCAR2ESR1
Acetic Acid SCHEMBL28067643 0.82 ALDH1A1 (0.62) ALDH1A1MMP12L3MBTL1HCAR2ESR1
SCHEMBL27897041 0.82 ALDH1A1 (0.62) ALDH1A1MMP12L3MBTL1HCAR2ESR1
Acetic Acid SCHEMBL19951529 0.82 ALDH1A1 (0.62) ALDH1A1MMP12L3MBTL1HCAR2ESR1
Hydrochloric Acid SCHEMBL27545520 0.82 ALDH1A1 (0.62) ALDH1A1MMP12L3MBTL1HCAR2ESR1
SCHEMBL114793 0.82 HCAR2 (0.59) ALDH1A1MMP12FFAR1HCAR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
WO-2013076148-A2 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY VIA POLYHYDROXY QUATERNARY AMMONIUM SALTS UNILEVER PLC (GB) 2013-05-30 WO disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed