SCHEMBL28522342

SCHEMBL28522342

CCCCC(CC(C)c1ccc(C(=O)C2CCC(CN)CC2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
HRH2 P25021 5/20 0.37
HRH1 P35367 5/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.36
CCKBR P32239 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
PLG P00747 4/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
KLKB1 P03952 1/20 0.34
PLAU P00749 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL28517784 0.94 HRH2 (0.38) SLC1A2SLC1A1SLC1A3HRH2HRH1
SCHEMBL28517790 0.89 NPSR1 (0.39) SLC1A2SLC1A1SLC1A3HRH2HRH1
SCHEMBL28523814 0.83 PLG (0.40) HRH2HRH1HRH3PLGKLKB1
SCHEMBL28516442 0.83 MGLL (0.42) KCNH2PPARGPLGPRSS1PRSS2
SCHEMBL28513698 0.78 F2 (0.42) HRH2HRH1HRH3KCNH2CCKBR
SCHEMBL28516377 0.78 F2 (0.41) HRH2HRH1KCNH2GRIK1PLG
SCHEMBL28511028 0.78 FFAR1 (0.43) HRH2HRH1HRH3PLGKLKB1
SCHEMBL28517788 0.78 F2 (0.40) HRH2HRH1HRH3PLGKLKB1
SCHEMBL10616410 0.78 LMNA (0.44) HRH2HRH1PLGPLATLMNA
SCHEMBL10616425 0.78 LMNA (0.44) HRH2HRH1PLGPLATLMNA

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
CN-112135599-B Skin whitening agent 宝丽化成工业有限公司 2023-03-31 CN disclosed
CN-112135599-A Whitening agent 宝丽化成工业有限公司 2020-12-25 CN disclosed