SCHEMBL23333333

SCHEMBL23333333

CC(C)NC1CCC(CC2CCC(N)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MDM2 Q00987 1/20 0.30

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
SCHEMBL16079773 0.89 KMT2A (0.41) KMT2AGAAL3MBTL1MDM2
SCHEMBL13337033 0.87 SMYD3 (0.39) SMYD3GAAL3MBTL1MDM2
SCHEMBL17776579 0.87 SMYD3 (0.39) SMYD3GAAL3MBTL1MDM2
SCHEMBL31963 0.87 SMYD3 (0.39) SMYD3GAAL3MBTL1MDM2
SCHEMBL2956481 0.83 SMYD3 (0.37) SMYD3KMT2A
SCHEMBL23136838 0.77 NCF1 (0.38) GAAL3MBTL1MDM2
SCHEMBL23136837 0.77 NCF1 (0.38) GAAL3MBTL1MDM2
SCHEMBL11316102 0.77 KMT2A (0.34) SMYD3KMT2A
SCHEMBL14268258 0.77 NCF1 (0.38) GAAL3MBTL1MDM2
SCHEMBL40608 0.76 KMT2A (0.36) KMT2A

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
EP-3816232-A1 RESIN COMPOSITION AND MOLDED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed