SCHEMBL28513698

SCHEMBL28513698

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
PLG P00747 3/20 0.40
PLAT P00750 1/20 0.40
LMNA P02545 1/20 0.40
USP5 P45974 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SRD5A2 P31213 1/20 0.37
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KLKB1 P03952 2/20 0.36
PLAU P00749 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCKBR P32239 1/20 0.36
KDM1A O60341 1/20 0.35
KCNH2 Q12809 1/20 0.35
MGLL Q99685 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
SCHEMBL28517788 0.92 F2 (0.40) F2PLGPLATLMNAUSP5
SCHEMBL28517782 0.91 F2 (0.39) F2PLGPLATLMNAUSP5
SCHEMBL28511028 0.87 FFAR1 (0.43) F2PLGPLATLMNAITGB3
SCHEMBL21402760 0.84 PLG (0.40) PLGPLATLMNASRD5A2HRH2
SCHEMBL28529604 0.83 F2 (0.48) F2PLGPLATLMNAITGB3
SCHEMBL28523814 0.82 PLG (0.40) F2PLGPLATLMNAITGB3
SCHEMBL10616410 0.82 LMNA (0.44) PLGPLATLMNASRD5A2HRH2
SCHEMBL10616425 0.82 LMNA (0.44) PLGPLATLMNASRD5A2HRH2
Hydrochloric Acid SCHEMBL147764 0.81 LMNA (0.42) PLGPLATLMNASRD5A2HRH2
Hydrochloric Acid SCHEMBL147763 0.81 LMNA (0.42) PLGPLATLMNASRD5A2HRH2

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