SCHEMBL13391990

SCHEMBL13391990

CC(=O)OCCS(=O)(=O)c1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HTT P42858 3/20 0.48
CA2 P00918 3/20 0.44
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PDIA6 Q15084 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
SCHEMBL13391991 0.89 ALDH1A1 (0.48) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL13392068 0.84 ALDH1A1 (0.44) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL13392003 0.81 CA2 (0.43) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL15833291 0.81 CA2 (0.51) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL13391994 0.80 CA2 (0.43) ALDH1A1HTTCA2KMT2AKDM4E
SCHEMBL13892255 0.79 ALDH1A1 (0.47) ALDH1A1HTTCA2KDM4EPOLB
SCHEMBL4067415 0.77 ALDH1A1 (0.56) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL12810147 0.77 ALDH1A1 (0.44) ALDH1A1HTTKMT2AGAALMNA
SCHEMBL9559059 0.76 CA2 (0.48) ALDH1A1HTTCA2KMT2AGAA
SCHEMBL13214212 0.75 CA2 (0.47) ALDH1A1HTTCA2KMT2ALMNA

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-2010034832-A1 MONOAZO DYES FOR DYEING LEATHER BASF SE (DE) 2010-04-01 WO disclosed