SCHEMBL1734360

SCHEMBL1734360

CCCCCCOC(=O)c1ccc(CC)c(ON)c1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 5/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MMP2 P08253 1/20 0.41
STS P08842 1/20 0.40

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
SCHEMBL28588690 0.86 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL1614226 0.86 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL994988 0.81 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28603172 0.80 ALDH1A1 (0.62) ALDH1A1TSHRLMNAMAPK1CYP3A4
Benzophenone SCHEMBL27409790 0.79 ALDH1A1 (0.82) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27802407 0.79 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL820186 0.78 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10482944 0.78 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL818473 0.78 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL1790206 0.78 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPK1CYP3A4

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-8198335-B2 Cosmetic material PARAHERMOSA CO., LTD. (JP) 2012-06-12 US disclosed
EP-2172185-B1 Cosmetic material comprising octyl hydroxy stearate oligomer PARAHERMOSA CO LTD (JP) 2011-11-23 EP disclosed
US-20100087551-A1 COSMETIC MATERIAL PARAHERMOSA CO., LTD. (JP) 2010-04-08 US disclosed
EP-2172185-A2 Cosmetic material comprising octyl hydroxy stearate oligomer Parahermosa Co., Ltd. (JP) 2010-04-07 EP disclosed