SCHEMBL23401159

SCHEMBL23401159

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
NOX4 Q9NPH5 3/20 0.39
MPL P40238 1/20 0.39
ADRB1 P08588 1/20 0.38
ALOX5 P09917 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MPI P34949 1/20 0.34

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) MGLLNOX4MPLADRB1ALOX5
SCHEMBL23401387 0.82 GAA (0.47) MGLLMPLMAPTMEN1KMT2A
SCHEMBL23401707 0.82 MT-CO1 (0.40) MGLLNOX4MPLADRB1ALOX5
SCHEMBL23398826 0.80 MPI (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL23401300 0.80 KDM4E (0.40) MGLLNOX4MPLMAPTMEN1
SCHEMBL23398817 0.80 NOX4 (0.41) MGLLNOX4MPLADRB1ALOX5
SCHEMBL23398522 0.80 ALKBH3 (0.49) MGLLNOX4MPLALOX5MAPT
SCHEMBL23398592 0.79 MT-CO1 (0.38) MGLLNOX4MPLADRB1ALOX5
SCHEMBL23400357 0.79 POLB (0.40) MGLLNOX4MPLMAPTALDH1A1
SCHEMBL23399338 0.77 MPL (0.44) MGLLNOX4MPLALOX5MAPT

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