SCHEMBL9830237

SCHEMBL9830237

CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.70
CA1 P00915 3/20 0.70
ALDH1A1 P00352 4/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
USP2 O75604 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
FOLH1 Q04609 1/20 0.55
MEN1 O00255 1/20 0.53
CRHBP P24387 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
FPR1 P21462 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL9830233 1.00 CA2 (0.70) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL9461939 0.88 CA2 (0.69) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL1158031 0.88 CA2 (0.69) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL1158033 0.88 CA2 (0.69) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL11228098 0.87 CA2 (0.68) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL9432949 0.87 CA2 (0.72) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL9830498 0.87 CA2 (0.72) CA2CA1ALDH1A1NPSR1CA12
Water SCHEMBL28867161 0.87 CA2 (0.67) CA2CA1ALDH1A1NPSR1CA12
Lithium SCHEMBL6646645 0.87 CA2 (0.67) CA2CA1ALDH1A1NPSR1CA12
SCHEMBL6646636 0.87 CA2 (0.67) CA2CA1ALDH1A1NPSR1CA12

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