SCHEMBL23401009

SCHEMBL23401009

CCCn1nc(O)c(CC(C)C)c1-c1cccc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
ESR1 P03372 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 2/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL23399711 0.93 TP53 (0.40) TP53MEN1KMT2ACYP1A2TRPM8
SCHEMBL23401902 0.90 NPC1 (0.41) TP53MEN1KMT2ATRPM8KCNT1
SCHEMBL23402665 0.88 ICMT (0.35) TP53MEN1KMT2ATRPM8KCNT1
SCHEMBL23403118 0.87 TP53 (0.40) TP53MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23399469 0.86 CTSS (0.40) TP53MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23399468 0.86 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL23399738 0.85 TP53 (0.43) TP53MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23401589 0.85 ESR1 (0.34) TP53MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23401220 0.85 TGFBR1 (0.36) TP53MEN1KMT2ATRPM8KCNT1
SCHEMBL23398509 0.84 TP53 (0.40) TP53MEN1KMT2ACYP1A2CYP2C9

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