SCHEMBL9054847

SCHEMBL9054847

Cc1ccc(S(=O)(=O)Oc2cc(C(=O)O)ccc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
GAA P10253 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 2/20 0.49
STAT3 P40763 1/20 0.47
ALDH1A1 P00352 2/20 0.46
G6PD P11413 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL7937565 0.86 PTGS2 (0.51) GAAKMT2AMEN1ESR1ESR2
SCHEMBL18506128 0.82 RAB9A (0.55) HTTGAAKMT2AMEN1ESR1
SCHEMBL9053535 0.82 CYP1A2 (0.51) HTTGAAKMT2AMEN1ESR1
SCHEMBL13167860 0.81 TSHR (0.54) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL9053528 0.81 CYP1A2 (0.50) GAAKMT2AMEN1ESR1ESR2
SCHEMBL9054697 0.79 KMT2A (0.47) GAAKMT2AMEN1ESR1ESR2
SCHEMBL10492006 0.79 KMT2A (0.60) HTTGAAKMT2AMEN1ESR1
SCHEMBL1639867 0.78 KMT2A (0.52) HTTGAAKMT2AMEN1ESR1
SCHEMBL9054029 0.78 KMT2A (0.52) HTTGAAKMT2AMEN1ESR1
SCHEMBL7931629 0.78 ALDH1A1 (0.53) HTTGAAKMT2AMEN1MAPT

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-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed