SCHEMBL5797153

SCHEMBL5797153

C=C(C[C@](C)(N[S+]([O-])C(C)(C)C)C(=O)OCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MMP8 P22894 1/20 0.39
PIN1 Q13526 1/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34

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
SCHEMBL5798239 1.00 POLB (0.41) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL5801089 1.00 POLB (0.41) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL5885245 0.76 ALDH1A1 (0.50) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL7065146 0.76 MMP8 (0.51) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL5798028 0.74 KMT2A (0.43) ALDH1A1MAPTMMP8PIN1NPC1
SCHEMBL5799304 0.74 KMT2A (0.43) ALDH1A1MAPTMMP8PIN1NPC1
SCHEMBL23657388 0.72 POLB (0.56) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL23738123 0.71 POLB (0.45) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL23718650 0.69 POLB (0.43) POLBNPSR1ALDH1A1MAPTMMP8
SCHEMBL5798332 0.69 NPC1 (0.40) ALDH1A1MAPTMMP8PIN1NPC1

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-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO claimed