SCHEMBL9303874

SCHEMBL9303874

COC(=O)C(NC(=O)[C@@H]1CCCCO1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HPGD P15428 5/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 2/20 0.38

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
SCHEMBL9303877 1.00 TSHR (0.50) TSHRHPGDGAANPSR1HTT
SCHEMBL9303388 0.95 HPGD (0.51) TSHRHPGDGAANPSR1HTT
SCHEMBL9303399 0.95 HPGD (0.51) TSHRHPGDGAANPSR1HTT
SCHEMBL9303569 0.83 HPGD (0.49) TSHRHPGDGAAHTTTDP1
SCHEMBL9303576 0.83 HPGD (0.49) TSHRHPGDGAAHTTTDP1
SCHEMBL9304079 0.80 HPGD (0.57) TSHRHPGDGAANPSR1HTT
SCHEMBL9304449 0.80 HPGD (0.54) HPGDGAAHTTTDP1ALDH1A1
SCHEMBL9304457 0.80 HPGD (0.54) HPGDGAAHTTTDP1ALDH1A1
SCHEMBL7598015 0.77 SSTR4 (0.48) TSHR
SCHEMBL15429710 0.76 HPGD (0.62) HPGDGAAHTTTDP1ALDH1A1

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