SCHEMBL30810322

SCHEMBL30810322

NC(CC(=O)O)Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.55
ANPEP P15144 2/20 0.49
ENPEP Q07075 1/20 0.49
ENPP2 Q13822 1/20 0.47
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
FOLH1 Q04609 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CTBP2 P56545 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL22734422 1.00 GRIA2 (0.55) GRIA2ANPEPENPEPENPP2ERAP2
SCHEMBL30810168 0.84 GRIA2 (0.52) GRIA2ANPEPENPEPENPP2ERAP2
SCHEMBL22734406 0.84 GRIA2 (0.52) GRIA2ANPEPENPEPENPP2ERAP2
SCHEMBL3067767 0.84 ENPP2 (0.59) GRIA2ANPEPENPEPENPP2DRD2
SCHEMBL28064622 0.83 ANPEP (0.49) GRIA2ANPEPENPEPENPP2ERAP1
SCHEMBL28828020 0.83 ANPEP (0.49) GRIA2ANPEPENPEPENPP2ERAP1
SCHEMBL28064623 0.83 ANPEP (0.49) GRIA2ANPEPENPEPENPP2ERAP1
SCHEMBL289224 0.83 ANPEP (0.49) GRIA2ANPEPENPEPFOLH1KMT2A
SCHEMBL27999580 0.83 ANPEP (0.49) GRIA2ANPEPENPEPFOLH1KMT2A
SCHEMBL29053359 0.83 GRIA2 (0.50) GRIA2ENPP2FOLH1DRD2DRD1

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-111788202-B Substituted imidazo [4,5-c ] quinoline compounds with N-1 branched groups 3M创新有限公司 2024-03-01 CN disclosed