SCHEMBL5026568

SCHEMBL5026568

N#Cc1cc(C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.71
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
MRGPRX4 Q96LA9 1/20 0.58
MAOB P27338 1/20 0.56
NR4A2 P43354 1/20 0.56

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
SCHEMBL5024877 0.88 XDH (0.60) XDHALDH1A1MAOB
SCHEMBL20897567 0.87 MRGPRX4 (0.64) XDHALDH1A1HPGDMRGPRX4NR4A2
SCHEMBL1749528 0.84 RXRA (0.62) XDHHPGD
SCHEMBL1329717 0.83 XDH (0.55) XDHMAOB
SCHEMBL28587139 0.83 XDH (0.55) XDHMAOB
Hydrochloric Acid SCHEMBL28326093 0.82 F2 (0.56) XDHMAOB
SCHEMBL1600077 0.82 MRGPRX4 (0.62) HPGDMRGPRX4NR4A2
SCHEMBL29556736 0.82 MRGPRX4 (0.62) HPGDMRGPRX4NR4A2
SCHEMBL8319025 0.81 PTGER1 (0.67) XDHALDH1A1HPGDMRGPRX4NR4A2
SCHEMBL1402221 0.81 ALDH1A1 (0.74) XDHALDH1A1HPGDMRGPRX4

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-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO disclosed