SCHEMBL28451602

SCHEMBL28451602

CCCC(Cl)COc1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 8/20 0.49
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TRPA1 O75762 1/20 0.44
RARB P10826 5/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL28451599 1.00 PLA2G4B (0.49) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28454073 0.92 PLA2G4B (0.53) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28454072 0.92 PLA2G4B (0.53) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28461596 0.89 PLA2G4B (0.48) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28461594 0.89 PLA2G4B (0.48) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28455017 0.83 MAPK1 (0.51) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL28455013 0.83 MAPK1 (0.51) PLA2G4BMAPK1TP53TSHRTRPA1
SCHEMBL29201126 0.82 PLA2G4B (0.63) PLA2G4BMAPK1TP53TSHRRARB
SCHEMBL11184944 0.76 TP53 (0.79) PLA2G4BTP53TSHRRARBPLA2G4A
SCHEMBL11184941 0.76 TP53 (0.79) PLA2G4BTP53TSHRRARBPLA2G4A

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-109761970-B Protein targeted degradation chimeric molecule, preparation method and application 中国药科大学 2020-06-09 CN disclosed