SCHEMBL28513706

SCHEMBL28513706

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
MGLL Q99685 4/20 0.39
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 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
PLG P00747 2/20 0.35
PRSS1 P07477 2/20 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
SCHEMBL28979004 0.96 MGLL (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28516449 0.92 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28524888 0.86 F2 (0.43) F2MGLLFAAHKCNH2THRA
SCHEMBL28516377 0.79 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28516442 0.79 MGLL (0.42) F2MGLLFAAHKCNH2THRA
Acetic Acid SCHEMBL11134483 0.78 F2 (0.45) F2MGLLFAAHKCNH2THRA
SCHEMBL28516927 0.78 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL11131186 0.78 F2 (0.56) F2KCNH2MAPTKDM4ECYP1A2
Propionic Acid SCHEMBL11134410 0.77 F2 (0.46) F2MGLLFAAHKCNH2THRA
SCHEMBL11134727 0.77 F2 (0.46) 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