SCHEMBL23401124

SCHEMBL23401124

CCCCc1[nH]n(-c2cccc(C)c2)c(=O)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TNF P01375 2/20 0.40
NOD2 Q9HC29 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
GRM2 Q14416 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
MPL P40238 1/20 0.36
LITAF Q99732 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MGLL Q99685 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL23399092 0.93 ALKBH5 (0.41) MAPTTNFNOD2TDP1NOD1
SCHEMBL23401329 0.87 ALKBH5 (0.43) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400035 0.85 ALKBH5 (0.43) MAPTTNFNOD2TDP1NOD1
SCHEMBL23398784 0.85 ALKBH5 (0.43) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400350 0.82 ALKBH5 (0.41) MAPTTNFNOD2TDP1NOD1
SCHEMBL23401815 0.82 ALKBH5 (0.41) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400589 0.81 MAPT (0.43) MAPTTNFNOD2TDP1NOD1
SCHEMBL23402948 0.81 MT-CO1 (0.42) MAPTTNFNOD2TDP1NOD1
SCHEMBL23401647 0.81 ALKBH5 (0.42) MAPTTNFNOD2TDP1NOD1
SCHEMBL23400285 0.81 ALKBH5 (0.42) MAPTTNFNOD2TDP1NOD1

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