SCHEMBL23401910

SCHEMBL23401910

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.36
MGLL Q99685 1/20 0.36
NOX4 Q9NPH5 1/20 0.34
ALOX5 P09917 2/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL23400821 0.82 MGLL (0.40) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23399338 0.82 MPL (0.44) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23402768 0.81 MGLL (0.39) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23402134 0.81 MAPT (0.46) MAPTLMNAKMT2AMEN1HTT
SCHEMBL23400562 0.80 NOX4 (0.35) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23402040 0.77 GAA (0.47) MGLLNOX4MAPTLMNAKMT2A
SCHEMBL23398574 0.77 ELANE (0.38) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23401218 0.77 MEN1 (0.39) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23401427 0.77 MAPT (0.38) MPLMGLLNOX4ALOX5MAPT
SCHEMBL23402989 0.77 MAPT (0.38) MPLMGLLNOX4ALOX5MAPT

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