SCHEMBL28516377

SCHEMBL28516377

CCCC(CCCc1ccc(C(=O)C2CCC(CN)CC2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
MGLL Q99685 3/20 0.40
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
RARB P10826 6/20 0.39
GRIK1 P39086 1/20 0.38
PLG P00747 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PLAU P00749 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RARA P10276 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL28516442 0.96 MGLL (0.42) F2MGLLFAAHKCNH2THRA
SCHEMBL28516927 0.92 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28524200 0.85 F2 (0.43) F2MGLLFAAHKCNH2PLG
Acetic Acid SCHEMBL11134483 0.81 F2 (0.45) F2MGLLFAAHKCNH2THRA
SCHEMBL11134727 0.81 F2 (0.46) F2MGLLFAAHKCNH2THRA
Propionic Acid SCHEMBL11134410 0.81 F2 (0.46) F2MGLLFAAHKCNH2THRA
SCHEMBL28517784 0.80 HRH2 (0.38) KCNH2GRIK1PLGHRH2HRH1
SCHEMBL11135642 0.80 CYP4A11 (0.46) F2MGLLFAAHKCNH2THRA
Acetic Acid SCHEMBL11132313 0.79 CYP4A11 (0.44) F2MGLLKCNH2THRATHRB
SCHEMBL28979004 0.79 MGLL (0.41) F2MGLLFAAHKCNH2THRA

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