SCHEMBL28516448

SCHEMBL28516448

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PLG P00747 6/20 0.40
KLKB1 P03952 5/20 0.40
PLAU P00749 2/20 0.40
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
F11 P03951 5/20 0.36
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PTGER2 P43116 1/20 0.36
MAPT P10636 1/20 0.36
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL28513705 0.99 F2 (0.45) F2PLGKLKB1PLAUPRSS1
SCHEMBL28529604 0.92 F2 (0.48) F2PLGKLKB1PLAUPRSS1
SCHEMBL28514642 0.85 F2 (0.44) F2PLGKLKB1PLAUPRSS1
SCHEMBL28517788 0.84 F2 (0.40) F2PLGKLKB1PLAUHRH2
SCHEMBL28517782 0.83 F2 (0.39) F2PLGKLKB1PLAUHRH2
SCHEMBL21402741 0.82 ABL1 (0.44) F2PLGKLKB1PLAUPRSS1
SCHEMBL11133818 0.82 F2 (0.55) F2PLGMAPTPLATLMNA
SCHEMBL28516375 0.81 F2 (0.54) F2PLGMAPTPLATLMNA
SCHEMBL28516925 0.81 F2 (0.54) F2PLGMAPTPLATLMNA
SCHEMBL11134042 0.81 F2 (0.54) F2PLGMAPTPLATLMNA

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