SCHEMBL28529604

SCHEMBL28529604

CC(CCC(=O)O)Cc1ccc(C(=O)C2CCC(CN)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
KLKB1 P03952 8/20 0.41
PLG P00747 4/20 0.41
PLAU P00749 2/20 0.41
PRSS1 P07477 4/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
TMPRSS15 P98073 1/20 0.39
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
F11 P03951 10/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL28516448 0.92 F2 (0.46) F2KLKB1PLGPLAUPRSS1
SCHEMBL28513705 0.91 F2 (0.45) F2KLKB1PLGPLAUPRSS1
SCHEMBL28514642 0.88 F2 (0.44) F2KLKB1PLGPLAUPRSS1
SCHEMBL21402741 0.85 ABL1 (0.44) F2KLKB1PLGPLAUPRSS1
Rotraxate SCHEMBL7610725 0.83 F2 (0.66) F2KLKB1PLGPLAUPRSS1
Rotraxate SCHEMBL1652733 0.83 F2 (0.66) F2KLKB1PLGPLAUPRSS1
Rotraxate SCHEMBL867317 0.83 F2 (0.66) F2KLKB1PLGPLAUPRSS1
SCHEMBL28524886 0.83 KLKB1 (0.41) F2KLKB1PLGPLAUPRSS1
SCHEMBL28513698 0.83 F2 (0.42) F2KLKB1PLGPLAUPLAT
Rotraxate SCHEMBL1133033 0.82 F2 (0.64) F2KLKB1PLGPLAUPRSS1

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