SCHEMBL9830112

SCHEMBL9830112

COc1ccc(C(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
CA1 P00915 3/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
PLK1 P53350 1/20 0.51
PTPN1 P18031 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 1/20 0.49

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
SCHEMBL9830098 1.00 CA2 (0.58) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL28022564 0.90 CTSS (0.64) CA2TAS1R3TAS1R1CA1CTSL
SCHEMBL9829566 0.86 CA2 (0.63) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL9829563 0.86 CA2 (0.63) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL18979327 0.85 CA2 (0.59) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL28524085 0.85 CA2 (0.59) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL714972 0.82 CA2 (0.61) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL9830591 0.82 CA2 (0.61) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL2331045 0.81 CA2 (0.61) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL3719424 0.81 CA2 (0.72) CA2CA1ALDH1A1PTPN1GAA

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 3 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
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed