SCHEMBL9830591

SCHEMBL9830591

COc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.61
CA1 P00915 5/20 0.61
FOLH1 Q04609 4/20 0.58
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
DHFR P00374 2/20 0.51
GART P22102 1/20 0.50

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
SCHEMBL714972 1.00 CA2 (0.61) CA2CA1FOLH1TAS1R3TAS1R1
SCHEMBL27564186 0.88 CA2 (0.75) CA2CA1FOLH1CA12CA9
SCHEMBL9829563 0.84 CA2 (0.63) CA2CA1TAS1R3TAS1R1CA12
SCHEMBL9829566 0.84 CA2 (0.63) CA2CA1TAS1R3TAS1R1CA12
SCHEMBL8379946 0.84 CA2 (0.66) CA2CA1FOLH1CA12CA9
SCHEMBL1640055 0.84 CA2 (0.66) CA2CA1FOLH1CA12CA9
SCHEMBL10659527 0.83 CA2 (0.54) CA2CA1TAS1R3TAS1R1ALDH1A1
SCHEMBL9831656 0.83 CA2 (0.65) CA2CA1FOLH1TAS1R3TAS1R1
SCHEMBL10659530 0.83 CA2 (0.54) CA2CA1TAS1R3TAS1R1ALDH1A1
SCHEMBL9831665 0.83 CA2 (0.65) CA2CA1FOLH1TAS1R3TAS1R1

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed