SCHEMBL7537700

SCHEMBL7537700

O=C(O)CC(=O)CNC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GPR139 Q6DWJ6 1/20 0.50
EPHX2 P34913 1/20 0.49
PRSS1 P07477 1/20 0.49
CTSG P08311 1/20 0.49
CTRB1 P17538 1/20 0.49
CMA1 P23946 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48

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
Hippuric Acid SCHEMBL7486 0.85 GAA (0.68) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL428479 0.85 GAA (0.68) GAAMAPTKDM4EHIF1ASLC22A6
SCHEMBL22030672 0.85 GAA (0.68) GAAMAPTKDM4EHIF1ASLC22A6
SCHEMBL9169325 0.85 GAA (0.57) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL11709120 0.83 MAPT (0.66) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL657588 0.83 KDM4E (0.66) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL8165809 0.83 MAPT (0.66) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL21569381 0.83 MAPT (0.66) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL15416338 0.83 MAPT (0.66) GAAMAPTKDM4EHIF1ASLC22A6
Hippuric Acid SCHEMBL3448563 0.83 MAPT (0.66) GAAMAPTKDM4EHIF1ASLC22A6

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
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed