SCHEMBL23401892

SCHEMBL23401892

Cc1cccc(-n2[nH]c(C(C)(C)C)c(C(C)(C)C)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.46
MAPT P10636 7/20 0.45
NOD2 Q9HC29 2/20 0.45
TNF P01375 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOD1 Q9Y239 1/20 0.45
HSP90AA1 P07900 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MPL P40238 1/20 0.40
ADRB1 P08588 1/20 0.40
ALOX5 P09917 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL23398689 0.87 MAPT (0.48) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23402868 0.87 ALKBH5 (0.47) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23400017 0.83 MT-CO1 (0.51) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL23402640 0.82 MT-CO1 (0.44) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23400641 0.82 ALKBH5 (0.43) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23400876 0.82 MAPT (0.45) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23401329 0.82 ALKBH5 (0.43) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23399321 0.81 SMN1; SMN2 (0.41) MAPTMGLLL3MBTL1MEN1KMT2A
SCHEMBL23402431 0.81 ALKBH5 (0.42) ALKBH5MAPTNOD2TNFTDP1
SCHEMBL23398966 0.81 MAPT (0.49) ALKBH5MAPTNOD2TNFTDP1

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