SCHEMBL7515946

SCHEMBL7515946

COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LDHA P00338 1/20 0.41
TTR P02766 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.39
GRM8 O00222 3/20 0.39
GRM4 Q14833 3/20 0.39
GRM6 O15303 2/20 0.39

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
SCHEMBL18928692 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL28921925 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAA
SCHEMBL28905368 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAGRM8GRM4
SCHEMBL15432849 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAGRM8GRM4
SCHEMBL15414331 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAGRM8GRM4
SCHEMBL15433036 0.87 GRM4 (0.43) ALDH1A1SMN1; SMN2GRM8GRM4GRM6
SCHEMBL19278903 0.87 GRM4 (0.43) ALDH1A1SMN1; SMN2GRM8GRM4GRM6
SCHEMBL28070805 0.84 GRM4 (0.37) ALDH1A1GRM8GRM4GRM6
SCHEMBL28070806 0.84 GRM4 (0.37) ALDH1A1GRM8GRM4GRM6
SCHEMBL17035356 0.83 LDHA (0.47) ALDH1A1LMNAHTTLDHARAB9A

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-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed