SCHEMBL23400596

SCHEMBL23400596

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
HTT P42858 6/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.40
TP53 P04637 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 8/20 0.35
SLC11A2 P49281 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
RCE1 Q9Y256 1/20 0.34
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL23399786 0.79 ALDH1A1 (0.45) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23398482 0.79 GAA (0.42) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23402478 0.79 GAA (0.58) LMNAHTTMAPTALDH1A1GAA
SCHEMBL23399185 0.78 LMNA (0.40) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23399113 0.78 GAA (0.41) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23399799 0.78 GAA (0.44) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23400181 0.76 GAA (0.64) LMNAHTTMAPTGAACYP2C9
SCHEMBL23402851 0.75 KDM4E (0.52) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23401964 0.75 SMN1; SMN2 (0.47) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL23401430 0.72 GAA (0.49) LMNAHTTMAPTSMN1; SMN2ALDH1A1

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