SCHEMBL9304079

SCHEMBL9304079

CC(C)[C@H](NC(=O)[C@@H]1CCCO1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.45
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9303399 0.84 HPGD (0.51) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9303388 0.84 HPGD (0.51) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL15429710 0.83 HPGD (0.62) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL18117368 0.83 HPGD (0.62) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9303576 0.81 HPGD (0.49) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9303569 0.81 HPGD (0.49) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9303877 0.80 TSHR (0.50) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL9303874 0.80 TSHR (0.50) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL27388573 0.79 HPGD (0.55) HPGDGAATDP1ALDH1A1SMN1; SMN2
SCHEMBL18117410 0.78 HPGD (0.57) HPGDGAATDP1ALDH1A1SMN1; SMN2

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-0521496-B1 Process for producing optically active carboxylic acids CONSORTIUM ELEKTROCHEM IND (DE) 1994-10-19 EP disclosed
US-5334730-A Amidation with an 2-aminocarboxylic acid ester, cleavage the amide bond, solvent extraction to isolate CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-08-02 US disclosed
EP-0521496-A2 Process for producing optically active carboxylic acids Consortium für elektrochemische Industrie GmbH (DE) 1993-01-07 EP disclosed