Hippuric Acid

Hippuric Acid

SCHEMBL3710131

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TPH1TPH2

The experimentally established mechanism targets of Hippuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
PTPRC P08575 2/20 0.43
CTSL P07711 1/20 0.43
PTPN13 Q12923 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
SLC6A9 P48067 2/20 0.40
SLC6A5 Q9Y345 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
Gluconic Acid SCHEMBL28056864 0.93 PDE4A (0.44) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL3710132 0.78 SMN1; SMN2 (0.40) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL7148071 0.77 NPC1 (0.54) MAPTGAANPC1RAB9ASMN1; SMN2
Hippuric Acid SCHEMBL428479 0.77 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL22030672 0.77 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL7486 0.77 GAA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL9135405 0.76 GPR139 (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL657588 0.75 KDM4E (0.66) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL21569381 0.75 MAPT (0.66) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hippuric Acid SCHEMBL11709120 0.75 MAPT (0.66) KDM4EMAPTHIF1ASLC22A6SLC22A8

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