SCHEMBL28516442

SCHEMBL28516442

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.41
RARB P10826 6/20 0.41
PPARG P37231 4/20 0.41
F2 P00734 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
PLG P00747 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL28516377 0.96 F2 (0.41) MGLLTHRATHRBFAAHRARB
SCHEMBL28516927 0.92 F2 (0.41) MGLLTHRATHRBFAAHRARB
SCHEMBL28524200 0.85 F2 (0.43) MGLLFAAHF2PLGKCNH2
SCHEMBL28522342 0.83 SLC1A2 (0.39) PPARGPLGPRSS1PRSS2PRSS3
SCHEMBL28979004 0.81 MGLL (0.41) MGLLTHRATHRBFAAHRARB
SCHEMBL28513706 0.79 F2 (0.40) MGLLTHRATHRBFAAHRARB
Acetic Acid SCHEMBL11134483 0.79 F2 (0.45) MGLLTHRATHRBFAAHF2
SCHEMBL11131186 0.78 F2 (0.56) F2MAPTPLGKCNH2
Propionic Acid SCHEMBL11134410 0.78 F2 (0.46) MGLLTHRATHRBFAAHRARB
SCHEMBL28524888 0.78 F2 (0.43) MGLLTHRATHRBFAAHF2

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