SCHEMBL23399799

SCHEMBL23399799

CC(C)(C)c1[nH]n(C(C)(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.41
LMNA P02545 6/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
SLC11A2 P49281 3/20 0.37
KMT2A Q03164 4/20 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
SCHEMBL23402306 0.85 GAA (0.47) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23402478 0.81 GAA (0.58) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23399786 0.81 ALDH1A1 (0.45) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23402029 0.81 GAA (0.42) GAAALDH1A1ALOX15LMNAMAPT
SCHEMBL23401469 0.79 GAA (0.64) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23403602 0.78 GAA (0.40) GAAALDH1A1ALOX15LMNAMAPT
SCHEMBL23400596 0.78 LMNA (0.43) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23402851 0.78 KDM4E (0.52) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23399936 0.75 ALKBH3 (0.48) GAAALDH1A1CYP2C9CYP2C19ALOX15
SCHEMBL23402187 0.73 ALDH1A1 (0.44) GAAALDH1A1CYP2C9CYP2C19ALOX15

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