SCHEMBL18499883

SCHEMBL18499883

CC(C)c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)NC7=O)cc5)cc4)cc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL23422557 0.90 MAOA (0.48) MAOAMAOBMEN1KMT2APOLB
SCHEMBL23422540 0.89 PKM (0.45) MAOAMAOBMEN1KMT2APOLB
SCHEMBL22693372 0.88 KMT2A (0.44) MEN1KMT2APOLBMAPK1BRD4
SCHEMBL17676440 0.87 MAOA (0.47) MAOAMAOBMEN1KMT2APOLB
SCHEMBL19676872 0.87 MAOA (0.47) MAOAMAOBMEN1KMT2APOLB
SCHEMBL13678977 0.87 MAOA (0.58) MAOAMAOBMEN1KMT2APOLB
SCHEMBL27432396 0.84 MAOA (0.44) MAOAMAOBMEN1KMT2APOLB
SCHEMBL20708121 0.83 MAOA (0.44) MAOAMAOBMEN1KMT2APOLB
SCHEMBL12793534 0.83 MAOA (0.48) MAOAMAOBMEN1KMT2APOLB
SCHEMBL24451562 0.82 MEN1 (0.52) MAOAMAOBMEN1KMT2ABRD4

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
US-9570752-B2 Negative electrode material for lithium-based batteries GM Global Technology Operations LLC (US) 2017-02-14 US disclosed