SCHEMBL10695890

SCHEMBL10695890

CC(CCCC(C)(C)O)CC(C)(OC(=O)c1ccccc1N)OC(=O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
HSD17B10 Q99714 9/20 0.43
CFTR P13569 1/20 0.42
KDM4E B2RXH2 5/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 4/20 0.37
HPGD P15428 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL3339224 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRKDM4EPOLB
Methyl Anthranilate SCHEMBL4120840 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRKDM4EPOLB
Methyl Anthranilate SCHEMBL30567554 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRKDM4EPOLB
Ethyl Anthranilate SCHEMBL4956191 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL5034071 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL171563 0.70 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL29851692 0.70 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL6563891 0.70 ALDH1A1 (0.54) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL29024770 0.69 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL6563889 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRKDM4EPOLB

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
EP-0251644-A2 Perfume composition containing a derivative of hydroxy citronellal Takasago Perfumery Co., Ltd. (JP) 1988-01-07 EP claimed
EP-0251644-A2 Perfume composition containing a derivative of hydroxy citronellal Takasago Perfumery Co., Ltd. (JP) 1988-01-07 EP disclosed