SCHEMBL28629258

SCHEMBL28629258

CCCCCCCCOC(=O)C=Cc1ccccc1-c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31279789 0.91 APP (0.51) APPALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL4623064 0.86 APP (0.49) APPALDH1A1KDM4ESMN1; SMN2HCAR2
SCHEMBL28414558 0.86 CCNC (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL4623066 0.86 APP (0.49) APPALDH1A1KDM4ESMN1; SMN2HCAR2
SCHEMBL2692271 0.84 APP (0.54) APPSMN1; SMN2HTTHCAR2
SCHEMBL3762224 0.82 TDP1 (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL2692264 0.81 APP (0.45) APPALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL28653578 0.80 APP (0.47) APPALDH1A1KDM4ESMN1; SMN2HCAR2
SCHEMBL28645173 0.80 APP (0.47) APPALDH1A1KDM4ESMN1; SMN2HCAR2
SCHEMBL15665995 0.79 APP (0.47) APPALDH1A1KDM4EHCAR2HPGD

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-110087609-B Water-in-oil emulsion containing baicalin, xanthine base, vitamin B3, and polyvalent metal cation salt 莱雅公司 2022-11-15 CN disclosed
CN-110099662-B Water-in-oil emulsion comprising a specific emulsifying system, a lipophilic clay and a silicone resin-coated organopolysiloxane elastomer powder 莱雅公司 2022-04-26 CN disclosed
CN-107847414-B Composition comprising a UV screening agent, an anionically crosslinked hydrophilic polymer, a surfactant having an HLB less than or equal to 5, and a siloxane copolymer 欧莱雅 2021-09-10 CN disclosed