SCHEMBL17545152

SCHEMBL17545152

CS(=O)(=O)N1CCC(CO[SH](=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FABP6 P51161 1/20 0.33
BRD4 O60885 2/20 0.32

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
SCHEMBL12522316 0.79 TP53 (0.50) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL16127663 0.78 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL436002 0.78 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL15387041 0.78 TP53 (0.44) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL15295187 0.76 L3MBTL1 (0.45) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL24719161 0.75 TP53 (0.42) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL4569273 0.75 TP53 (0.42) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL12448228 0.75 TP53 (0.42) TP53CYP4F2CYP4A11L3MBTL1HTT
SCHEMBL21696313 0.75 TP53 (0.44) TP53L3MBTL1HTTALDH1A1ATM
SCHEMBL24719407 0.74 TP53 (0.41) TP53CYP4F2CYP4A11L3MBTL1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831053-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-06-22 EP disclosed
EP-2831064-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-02-17 EP disclosed