SCHEMBL23402127

SCHEMBL23402127

CCc1[nH]n(-c2cccc(C)c2)c(=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.47
MAPT P10636 6/20 0.46
NOD2 Q9HC29 2/20 0.46
TNF P01375 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALOX5 P09917 3/20 0.40
NOX4 Q9NPH5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL23399097 0.88 ALKBH5 (0.45) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23400484 0.87 ALKBH5 (0.46) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23398784 0.86 ALKBH5 (0.43) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23402734 0.84 MAPT (0.46) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23402295 0.84 MPI (0.51) MAPTTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL23400051 0.83 ALKBH5 (0.43) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401329 0.83 ALKBH5 (0.43) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401540 0.82 MAPT (0.49) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401754 0.81 MAPT (0.52) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23398452 0.81 SMN1; SMN2 (0.46) MAPTTDP1MGLLMEN1KMT2A

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