SCHEMBL23399092

SCHEMBL23399092

CCCc1[nH]n(-c2cccc(C)c2)c(=O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.41
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
NOD2 Q9HC29 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.37
MGLL Q99685 1/20 0.37
MPL P40238 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL23401124 0.93 MAPT (0.40) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23401329 0.90 ALKBH5 (0.43) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23400901 0.85 MAPT (0.44) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL23402079 0.84 SMN1; SMN2 (0.43) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL23399097 0.84 ALKBH5 (0.45) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23400589 0.84 MAPT (0.43) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23402440 0.83 ALKBH5 (0.44) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23399400 0.82 ALKBH5 (0.43) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23398689 0.81 MAPT (0.48) ALKBH5MAPTTDP1NOD2TNF
SCHEMBL23400285 0.81 ALKBH5 (0.42) ALKBH5MAPTTDP1NOD2TNF

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