SCHEMBL23399131

SCHEMBL23399131

CCCCn1nc(CC)c(O)c1-c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
KDM4E B2RXH2 1/20 0.42
NR1H3 Q13133 1/20 0.41
TLR8 Q9NR97 1/20 0.41
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
MPO P05164 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
ESR1 P03372 1/20 0.37
TSHR P16473 1/20 0.36
ICMT O60725 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL23400399 0.92 TP53 (0.47) TP53KDM4ENR1H3TLR8MAPT
SCHEMBL23399562 0.92 TP53 (0.43) TP53KDM4ETLR8HEXAHEXB
SCHEMBL23400396 0.91 TP53 (0.46) TP53KDM4ENR1H3TLR8MAPT
SCHEMBL23402341 0.88 TP53 (0.44) TP53KDM4ENR1H3TLR8HEXA
SCHEMBL23403677 0.87 TP53 (0.47) TP53KDM4ENR1H3TLR8MAPT
SCHEMBL23402534 0.86 TP53 (0.46) TP53KDM4ENR1H3TLR8MPO
SCHEMBL23403577 0.86 NPC1 (0.45) TP53KDM4EHEXAHEXBMAPT
SCHEMBL23402096 0.85 NR1H3 (0.49) NR1H3MPOMAPTMEN1CYP1A2
SCHEMBL23403165 0.84 TP53 (0.44) TP53KDM4ETLR8HEXAHEXB
SCHEMBL23403618 0.83 NR1H3 (0.38) TP53NR1H3TLR8MPOMAPT

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