SCHEMBL23399331

SCHEMBL23399331

CCCn1nc(-c2cccc(C)c2)c(CC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPK14 Q16539 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CRHR2 Q13324 1/20 0.36
DPP4 P27487 1/20 0.36
RIPK2 O43353 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
BRD4 O60885 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
SCHEMBL23402353 0.92 TLR8 (0.43) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23401974 0.91 ESR1 (0.41) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23400543 0.90 TLR8 (0.43) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23400837 0.89 L3MBTL1 (0.39) MEN1KMT2ATLR8MAPK14CRHBP
SCHEMBL23400957 0.87 ESR1 (0.39) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23399081 0.86 ESR1 (0.44) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23402944 0.85 SMN1; SMN2 (0.39) TLR8MAPK14TP53DPP4RIPK2
SCHEMBL23402500 0.84 MEN1 (0.50) ESR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL23399288 0.84 MAPK14 (0.36) MEN1KMT2AMAPK14TP53MAPT
SCHEMBL23401704 0.83 ESR1 (0.46) ESR1MEN1KMT2ACYP1A2CYP2C9

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