SCHEMBL23400481

SCHEMBL23400481

CCCc1c(C(C)C)[nH]n(-c2cccc(C)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
NOD2 Q9HC29 2/20 0.44
TNF P01375 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.41
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.37
MGLL Q99685 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.35
CTSK P43235 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
SCHEMBL23398550 0.94 MAPT (0.43) MAPTNOD2TNFTDP1NOD1
SCHEMBL23401947 0.90 MAPT (0.45) MAPTNOD2TNFTDP1NOD1
SCHEMBL23402453 0.86 MAPT (0.44) MAPTNOD2TNFTDP1NOD1
SCHEMBL23403698 0.85 GAA (0.50) MAPTGAAMEN1KMT2AL3MBTL1
SCHEMBL23400497 0.84 GAA (0.56) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400149 0.84 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL23402440 0.83 ALKBH5 (0.44) MAPTNOD2TNFTDP1NOD1
SCHEMBL23403461 0.82 MAPT (0.42) MAPTNOD2TNFTDP1NOD1
SCHEMBL23400051 0.82 ALKBH5 (0.43) MAPTNOD2TNFTDP1NOD1
SCHEMBL23399141 0.81 MAPT (0.49) MAPTNOD2TNFTDP1NOD1

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