SCHEMBL3710132

SCHEMBL3710132

O=C[C@H](OC(=O)CNC(=O)c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1871593 0.78 TSHR (0.54) SMN1; SMN2RAB9ANPC1KMT2AMEN1
Hippuric Acid SCHEMBL3710131 0.78 KDM4E (0.44) SMN1; SMN2RAB9ANPC1GAAMAPT
Gluconic Acid SCHEMBL28056864 0.72 PDE4A (0.44) SMN1; SMN2RAB9ANPC1GAAMAPT
SCHEMBL14219258 0.72 GPR139 (0.55) SMN1; SMN2PRSS1CTSGCTRB1CMA1
SCHEMBL5655365 0.70 PRSS1 (0.68) SMN1; SMN2PRSS1CTSGCTRB1CMA1
SCHEMBL8526433 0.69 PPARG (0.38) GAAHPGD
SCHEMBL14219779 0.69 GPR139 (0.51) SMN1; SMN2PRSS1CTSGCTRB1CMA1
SCHEMBL21195781 0.69 SLC1A1 (0.49) KMT2AMEN1
SCHEMBL6057627 0.69 HPGD (0.43) SMN1; SMN2GAAKMT2AMEN1MAPT
SCHEMBL18045621 0.69 TSHR (0.45) SMN1; SMN2RAB9ANPC1GAAKMT2A

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-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO disclosed