SCHEMBL28979004

SCHEMBL28979004

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FAAH O00519 1/20 0.41
RARB P10826 6/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
PLG P00747 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
PLAU P00749 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36

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 0.96 F2 (0.40) MGLLTHRATHRBFAAHRARB
SCHEMBL28516449 0.92 F2 (0.41) MGLLTHRATHRBFAAHRARB
SCHEMBL28524888 0.86 F2 (0.43) MGLLTHRATHRBFAAHF2
SCHEMBL28516442 0.81 MGLL (0.42) MGLLTHRATHRBFAAHRARB
SCHEMBL28516377 0.79 F2 (0.41) MGLLTHRATHRBFAAHRARB
Acetic Acid SCHEMBL11134483 0.78 F2 (0.45) MGLLTHRATHRBFAAHF2
SCHEMBL28516927 0.78 F2 (0.41) MGLLTHRATHRBFAAHRARB
SCHEMBL11131186 0.78 F2 (0.56) F2MAPTKCNH2PLG
Propionic Acid SCHEMBL11134410 0.77 F2 (0.46) MGLLTHRATHRBFAAHRARB
SCHEMBL11134727 0.77 F2 (0.46) 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 1 patent. 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