SCHEMBL9828975

SCHEMBL9828975

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
PLK1 P53350 1/20 0.53
ALDH1A1 P00352 5/20 0.52
DGAT1 O75907 1/20 0.52
PPARG P37231 2/20 0.51
CYP3A4 P08684 2/20 0.51
PPARA Q07869 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 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
SCHEMBL9828979 1.00 NPSR1 (0.57) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL7410707 0.89 NPSR1 (0.71) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL5838728 0.89 NPSR1 (0.71) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL10659164 0.86 NPSR1 (0.56) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL10659171 0.86 NPSR1 (0.56) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL11509188 0.85 NPSR1 (0.66) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL21274381 0.84 CA2 (0.64) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL21274384 0.84 CA2 (0.64) NPSR1TAS1R3TAS1R1CA1CA2
SCHEMBL5637591 0.82 CA2 (0.58) TAS1R3TAS1R1CA1CA2PLK1
SCHEMBL9829827 0.82 CA2 (0.58) TAS1R3TAS1R1CA1CA2PLK1

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