SCHEMBL23399338

SCHEMBL23399338

Cc1ccccc1-n1[nH]c(C)c(C(C)(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
MGLL Q99685 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
ALOX5 P09917 2/20 0.37
NOX4 Q9NPH5 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HTT P42858 1/20 0.36
HCAR1 Q9BXC0 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
SCHEMBL23402768 0.86 MGLL (0.39) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23401218 0.82 MEN1 (0.39) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23401910 0.82 MPL (0.36) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23402989 0.82 MAPT (0.38) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23398574 0.82 ELANE (0.38) MPLMGLLMAPTGAAALDH1A1
SCHEMBL1261280 0.80 GAA (0.58) MAPTGAAALDH1A1ALOX15APAF1
SCHEMBL23399000 0.80 ELANE (0.36) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23398850 0.80 ALKBH3 (0.36) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23398522 0.80 ALKBH3 (0.49) MPLMGLLMAPTGAAALDH1A1
SCHEMBL23400562 0.79 NOX4 (0.35) MPLMGLLMAPTGAAALDH1A1

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