SCHEMBL11526565

SCHEMBL11526565

CCNOC(=O)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
CLCN2 P51788 1/20 0.45
TSHR P16473 4/20 0.44
HTT P42858 2/20 0.42
F2R P25116 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
GAA P10253 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL11528403 0.84 ALDH1A1 (0.47) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL11567424 0.82 MAPT (0.43) ALDH1A1LMNACLCN2TSHRHTT
Hydrochloric Acid SCHEMBL6379952 0.82 ALDH1A1 (0.46) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL5724688 0.82 ALDH1A1 (0.46) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL156281 0.81 ALDH1A1 (0.66) ALDH1A1LMNATSHRHTTGAA
SCHEMBL27900511 0.81 ALDH1A1 (0.49) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL11207843 0.81 ALDH1A1 (0.49) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL29095971 0.79 CDC25B (0.55) ALDH1A1LMNATSHRGAAL3MBTL1
SCHEMBL739158 0.79 TSHR (0.52) ALDH1A1LMNACLCN2TSHRHTT
SCHEMBL6464901 0.79 TSHR (0.52) ALDH1A1LMNACLCN2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN claimed
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US claimed
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed