SCHEMBL11033149

SCHEMBL11033149

CCCCCCCCCCCCc1nccn1CCC#N.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
RARB P10826 1/20 0.37
XDH P47989 1/20 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
Gallic Acid SCHEMBL28677372 0.93 ALPG (0.39) PLA2G2AAGTR1AGTR2ALDH1A1HPGD
SCHEMBL31484752 0.89 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL27839823 0.89 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL346574 0.89 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL217674 0.89 AGTR1 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM5A
SCHEMBL27857586 0.88 TLR8 (0.43) AGTR1AGTR2ALDH1A1
SCHEMBL83434 0.88 TLR8 (0.43) AGTR1AGTR2ALDH1A1
SCHEMBL9231229 0.88 TLR8 (0.43) AGTR1AGTR2ALDH1A1
SCHEMBL10824697 0.87 TLR8 (0.44) AGTR1AGTR2ALDH1A1
Benzoic Acid SCHEMBL27844199 0.79 AGTR1 (0.51) AGTR1AGTR2ALDH1A1RARB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59002889-A None JP disclosed
JP-S592889-A DIAZO-BASED HEAT-SENSITIVE RECORDING MATERIAL RICOH CO LTD 1984-01-09 JP disclosed