SCHEMBL10697569

SCHEMBL10697569

O=C(O)COC(=O)c1c[nH]c2cc3c(cc2c1=O)OCO3

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.48
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRB1 P18505 3/20 0.44
GABRA3 P34903 3/20 0.44
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9319436 0.86 GABRA1 (0.60) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL9319102 0.82 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL1200586 0.73 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL29324417 0.70 GABRA1 (0.58) TP53ALDH1A1GABRA1GABRB2GABRB1
SCHEMBL1075376 0.69 ALDH1A1 (0.61) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL12611037 0.68 RAB9A (0.66) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL28289153 0.67 GABRA1 (0.69) TP53ALDH1A1GABRA1GABRB2GABRB1
SCHEMBL17417665 0.67 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL11010279 0.66 KDM4E (0.49) SMN1; SMN2RAB9ALMNATP53ALDH1A1
SCHEMBL1973248 0.65 HTR3E (0.54) RAB9ALMNAALDH1A1NPC1KDM4E

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-4764518-A Antibacterial agents containing oxo-4-pyridine carboxylic acid derivatives PANMEDICA (FR) 1988-08-16 US disclosed