SCHEMBL31469728

SCHEMBL31469728

NC(CC(=O)c1ccccc1NC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLC1A1 P43005 8/20 0.47
SLC1A3 P43003 7/20 0.47
SLC1A2 P43004 7/20 0.47
CASR P41180 2/20 0.44
LTA4H P09960 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMO O15229 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
RECQL P46063 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
SCHEMBL19273914 0.91 KDM4E (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL17730210 0.88 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL30852394 0.88 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL29407981 0.88 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL24380208 0.84 KDM4E (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL31520053 0.84 KDM4E (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL30852333 0.84 KDM4E (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL30852267 0.84 KDM4E (0.54) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL12319246 0.83 KDM4E (0.52) KDM4EHIF1ATDP1SLC1A1SLC1A3
SCHEMBL16801822 0.82 KDM4E (0.51) KDM4EHIF1ATDP1SLC1A1SLC1A3

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
US-20250044306-A1 Methods for Determining Opioid Responsiveness in the Treatment of Pain EAST CAROLINA UNIVERSITY 2025-02-06 US disclosed