SCHEMBL23399658

SCHEMBL23399658

CCn1[nH]c(-c2ccccc2)c(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
MAPT P10636 2/20 0.44
ALKBH3 Q96Q83 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
CYBB P04839 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
PLA2G10 O15496 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAT2A P31153 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL23399420 0.87 MEN1 (0.43) KDM4EMAPTALKBH3RAB9ANPC1
SCHEMBL23400635 0.86 KDM4E (0.42) KDM4EMAPTALKBH3RAB9ANPC1
SCHEMBL23399357 0.84 MEN1 (0.55) KDM4EMAPTALKBH3RAB9ANPC1
SCHEMBL23398773 0.84 MAPK14 (0.42) KDM4EALKBH3RAB9ANPC1ALDH1A1
SCHEMBL23398953 0.83 MAT2A (0.46) KDM4EALKBH3SMN1; SMN2GAAALOX15
SCHEMBL23399788 0.82 SMN1; SMN2 (0.44) KDM4EMAPTALKBH3RAB9ANPC1
SCHEMBL23399643 0.81 CYBB (0.44) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23400700 0.80 NPC1 (0.40) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23401938 0.80 ALKBH3 (0.45) KDM4EMAPTALKBH3SMN1; SMN2GAA
SCHEMBL23403346 0.77 KDM4E (0.57) KDM4EMAPTALKBH3RAB9ANPC1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed