SCHEMBL23399453

SCHEMBL23399453

CCCCc1[nH]n(C)c(=O)c1-c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
DCTPP1 Q9H773 2/20 0.39
DPP4 P27487 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA2B P29275 3/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL23400690 0.91 KDM4E (0.39) KDM4EDCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL23400012 0.87 KDM4E (0.56) KDM4EDCTPP1DPP4KMT2AMEN1
SCHEMBL23402465 0.84 KDM4E (0.39) KDM4ESMN1; SMN2KMT2AMEN1ADORA2A
SCHEMBL23400628 0.84 KDM4E (0.43) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23399767 0.83 KDM4E (0.50) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23402732 0.82 KDM4E (0.44) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23399874 0.80 KDM4E (0.40) KDM4EDCTPP1DPP4NPC1RAB9A
SCHEMBL23400699 0.78 CYBB (0.41) KDM4EDCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL23403390 0.77 KDM4E (0.46) KDM4EDCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL23400130 0.74 KDM4E (0.47) KDM4ESMN1; SMN2KMT2AHTTMEN1

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