SCHEMBL9544977

SCHEMBL9544977

Cc1ccc(O)cc1S(=O)(=O)OCCC1COC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 2/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 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
SCHEMBL9665958 0.88 CA2 (0.51) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL3490631 0.78 CA2 (0.46) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL2724163 0.78 CA2 (0.46) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL879857 0.78 CA2 (0.46) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL10699301 0.78 ESR2 (0.40) CA2ALDH1A1NPSR1PKMKDM4E
SCHEMBL8795201 0.77 GAA (0.45) CA2ALDH1A1PKMKDM4EHPGD
SCHEMBL3498665 0.77 CA2 (0.42) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL2859063 0.76 CA2 (0.41) CA2ALDH1A1NPSR1MAPK14PKM
SCHEMBL9826628 0.76 MEN1 (0.47) CA2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2885300 0.75 CA2 (0.43) CA2ALDH1A1NPSR1PKMKDM4E

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
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed