SCHEMBL29919477

SCHEMBL29919477

CO[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
LTA4H P09960 2/20 0.46
GRM5 P41594 3/20 0.45
CASP3 P42574 1/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
RAB9A P51151 1/20 0.44
GSTP1 P09211 1/20 0.44
MAOB P27338 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARD Q03181 1/20 0.43
MEN1 O00255 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL27086811 1.00 KMT2A (0.48) KMT2AMAPK1LTA4HGRM5CASP3
SCHEMBL25152984 1.00 KMT2A (0.48) KMT2AMAPK1LTA4HGRM5CASP3
SCHEMBL29919559 0.83 MAPK1 (0.41) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL25152978 0.83 MAPK1 (0.41) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL27086725 0.83 MAPK1 (0.41) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL27086721 0.82 MAPK1 (0.62) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL25152979 0.82 MAPK1 (0.62) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL29919552 0.82 MAPK1 (0.62) KMT2AMAPK1LTA4HGRM5PPARG
SCHEMBL23144183 0.78 MAPK1 (0.67) KMT2AMAPK1GRM5CASP3RAB9A
SCHEMBL1680623 0.77 CASP3 (0.61) GRM5CASP3GSTP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 EP disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 CN disclosed
WO-2022216750-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. (US) 2022-10-13 WO disclosed