SCHEMBL10798595

SCHEMBL10798595

CCOC(=O)[C@H](CC(=O)c1ccccc1)N[C@@H](Cc1ccc(OCC)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
ACACB O00763 1/20 0.47
PPARG P37231 7/20 0.46
MME P08473 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL10655994 0.90 GAA (0.52) GAARAB9AALDH1A1MAPTHTT
SCHEMBL9733367 0.84 MME (0.62) GAARAB9AMAPTLMNASMN1; SMN2
SCHEMBL7280394 0.84 MME (0.62) GAARAB9AMAPTLMNASMN1; SMN2
SCHEMBL7280398 0.84 MME (0.62) GAARAB9AMAPTLMNASMN1; SMN2
SCHEMBL22604666 0.77 GAA (0.73) GAARAB9AACACBPPARGITGB3
SCHEMBL3370856 0.77 KMT2A (0.60) GAARAB9AALDH1A1MAPTHTT
SCHEMBL3370862 0.77 KMT2A (0.60) GAARAB9AALDH1A1MAPTHTT
SCHEMBL6025269 0.77 KMT2A (0.60) GAARAB9AALDH1A1MAPTHTT
SCHEMBL21015668 0.77 ACACB (0.51) GAARAB9AACACBMMEITGB3
SCHEMBL19465105 0.77 ACACB (0.51) GAARAB9AACACBMMEITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668796-A Racemates of optically active bicyclic imino-alpha-carboxylic esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed