SCHEMBL9305397

SCHEMBL9305397

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
ACACB O00763 1/20 0.48
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 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
SCHEMBL9305401 1.00 HPGD (0.51) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL9304457 0.86 HPGD (0.54) HPGDNPC1RAB9ATDP1GAA
SCHEMBL9304449 0.86 HPGD (0.54) HPGDNPC1RAB9ATDP1GAA
SCHEMBL9303576 0.86 HPGD (0.49) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL9303569 0.86 HPGD (0.49) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL14665157 0.82 HPGD (0.52) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL14665124 0.82 HPGD (0.52) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL15743855 0.80 HPGD (0.56) HPGDNPC1RAB9ATP53TDP1
SCHEMBL15743828 0.80 HPGD (0.56) HPGDNPC1RAB9ATP53TDP1
SCHEMBL15429710 0.79 HPGD (0.62) HPGDNPC1RAB9ATP53TDP1

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