SCHEMBL31484752

SCHEMBL31484752

CCCCCCCCCCCc1nccn1CCC#N.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PTPN11 Q06124 1/20 0.38
RARB P10826 2/20 0.37
XDH P47989 1/20 0.37
PLA2G4A P47712 2/20 0.37

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
SCHEMBL217674 1.00 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL27839823 1.00 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL346574 1.00 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL29147715 0.90 AGTR1 (0.44) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL11033149 0.89 PLA2G2A (0.41) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL29045399 0.88 ALPG (0.44) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL30438581 0.88 ALPG (0.44) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL768937 0.84 HTT (0.37) AGTR1AGTR2PLA2G4A
Gallic Acid SCHEMBL28677372 0.84 ALPG (0.39) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL9231229 0.82 TLR8 (0.43) AGTR1AGTR2ALDH1A1

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
CN-119432072-A Resin composition 味之素株式会社 2025-02-14 CN disclosed