SCHEMBL23402176

SCHEMBL23402176

Cc1ccccc1-c1[nH]n(C(C)(C)C)c(=O)c1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL23399813 0.85 MAPT (0.43) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23402091 0.83 MAPT (0.41) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23401013 0.82 BRD4 (0.38) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL23401748 0.82 ALDH1A1 (0.40) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23398418 0.82 LMNA (0.40) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23401270 0.81 MAPT (0.35) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23400032 0.80 ALDH1A1 (0.48) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL23401650 0.80 MAPT (0.37) MAPTHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL23401640 0.79 MAPT (0.39) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL23403121 0.79 MAPT (0.47) MAPTHTTSMN1; SMN2LMNAALDH1A1

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