SCHEMBL23403296

SCHEMBL23403296

Cc1ccc(-c2c[nH]n(CC(C)C)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.39
RGS8 P57771 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 4/20 0.37
ERCC1 P07992 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ICMT O60725 1/20 0.34
KDM5A P29375 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL23401136 0.86 MEN1 (0.44) MEN1KMT2ANPC1GAASMN1; SMN2
SCHEMBL23400222 0.82 MEN1 (0.41) MEN1KMT2ANPC1GAASMN1; SMN2
SCHEMBL23400881 0.82 MEN1 (0.36) MEN1KMT2ANPC1GAAERCC1
SCHEMBL23398476 0.79 ALDH1A1 (0.46) MEN1KMT2ANPC1GAAERCC1
SCHEMBL23403303 0.77 RGS4 (0.40) RGS4RGS8MEN1KMT2ANPC1
SCHEMBL23402050 0.77 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL23402629 0.76 MEN1 (0.36) MEN1KMT2ANPC1GAAERCC1
SCHEMBL23398805 0.74 SMN1; SMN2 (0.36) RGS4RGS8MEN1KMT2ASMN1; SMN2
SCHEMBL23403534 0.73 MEN1 (0.39) MEN1KMT2ANPC1GAAERCC1
SCHEMBL23401215 0.69 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2HPGDALDH1A1

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