SCHEMBL4780847

SCHEMBL4780847

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCN(C(=O)C3CCN(C(=O)O)C(C(C)(C)C)C3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 11/20 0.37
ENPP2 Q13822 1/20 0.37
METAP2 P50579 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL4993095 0.88 METAP2 (0.39) PSMB5ENPP2METAP2LMNAPTGDR2
SCHEMBL4990060 0.88 ALDH1A1 (0.41) PSMB5ENPP2METAP2LMNAPTGDR2
SCHEMBL4999246 0.87 METAP2 (0.42) ENPP2METAP2LMNAPTGDR2NPC1
SCHEMBL4996876 0.86 KEAP1 (0.43) PSMB5ENPP2RXRARXRBRXRG
SCHEMBL4995223 0.86 ALDH1A1 (0.47) ENPP2LMNAPTGDR2NPC1KMT2A
SCHEMBL4725811 0.85 KMT2A (0.38) PSMB5ENPP2METAP2LMNAPTGDR2
SCHEMBL4996913 0.84 ALDH1A1 (0.41) PSMB5ENPP2LMNANPC1KMT2A
SCHEMBL14092541 0.83 KMT2A (0.42) PSMB5ENPP2METAP2LMNAPTGDR2
SCHEMBL14092521 0.83 MAPT (0.39) ENPP2METAP2LMNAPTGDR2NPC1
SCHEMBL14092498 0.83 KEAP1 (0.42) ENPP2METAP2LMNAPTGDR2KMT2A

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
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed