SCHEMBL9052756

SCHEMBL9052756

Cc1ccc(S(=O)(=O)Oc2cc(C(=O)N(C)C)cc3c2OC(c2ccccc2)(c2ccccc2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LIMK2 P53671 2/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 1/20 0.34
G6PD P11413 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LIMK1 P53667 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL9063668 0.87 KMT2A (0.40) GAAMAPTKMT2AMEN1ESR1
SCHEMBL9053833 0.86 SMN1; SMN2 (0.40) GAAMAPTKMT2AMEN1ESR1
SCHEMBL9057604 0.81 KMT2A (0.40) GAAMAPTKMT2AMEN1ESR1
SCHEMBL9062465 0.78 ALDH1A1 (0.50) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL9058390 0.77 TAS2R14 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL9058113 0.77 ENPP3 (0.39) ENPP2
SCHEMBL9063431 0.77 MEN1 (0.40) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL9062931 0.76 PTPN1 (0.39) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9053411 0.76 GAA (0.43) GAAMAPTKMT2AMEN1ESR1
SCHEMBL9057622 0.76 CYP1A2 (0.42) GAAKMT2AMEN1ESR1ESR2

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