SCHEMBL9828829

SCHEMBL9828829

C[C@@](CO)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
CYP2C9 P11712 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
HDAC1 Q13547 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL9828824 1.00 POLB (0.57) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL28456818 0.86 POLB (0.57) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL28451349 0.84 POLB (0.56) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL15524612 0.84 POLB (0.56) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL28443246 0.84 POLB (0.56) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL12471403 0.83 POLB (0.54) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL9828297 0.82 CA1 (0.54) SMN1; SMN2GAARAB9ANPC1CA1
SCHEMBL9828291 0.82 CA1 (0.54) SMN1; SMN2GAARAB9ANPC1CA1
SCHEMBL621869 0.81 POLB (0.71) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL7575404 0.81 POLB (0.61) POLBCYP2C9SMN1; SMN2EPHX1GAA

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