SCHEMBL28516449

SCHEMBL28516449

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
MGLL Q99685 4/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTR2A P28223 2/20 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
RARB P10826 3/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PLG P00747 1/20 0.35
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
SCHEMBL28513706 0.92 F2 (0.40) F2MGLLFAAHKCNH2THRA
SCHEMBL28979004 0.92 MGLL (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28524888 0.87 F2 (0.43) F2MGLLFAAHKCNH2THRA
Acetic Acid SCHEMBL11134483 0.79 F2 (0.45) F2MGLLFAAHKCNH2THRA
SCHEMBL28516927 0.79 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL11131186 0.78 F2 (0.56) F2KCNH2HTR2AKDM4ECYP1A2
Propionic Acid SCHEMBL11134410 0.78 F2 (0.46) F2MGLLFAAHKCNH2THRA
SCHEMBL11134727 0.78 F2 (0.46) F2MGLLFAAHKCNH2THRA
SCHEMBL28516377 0.78 F2 (0.41) F2MGLLFAAHKCNH2THRA
SCHEMBL28516442 0.78 MGLL (0.42) 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