SCHEMBL9303354

SCHEMBL9303354

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 5/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL9303361 1.00 POLB (0.51) POLBSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL9304449 0.81 HPGD (0.54) POLBSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL9304457 0.81 HPGD (0.54) POLBSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL9303511 0.80 ALDH1A1 (0.49) POLBSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL9303508 0.80 ALDH1A1 (0.49) POLBSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL9303399 0.78 HPGD (0.51) SMN1; SMN2HPGDGAAALDH1A1TDP1
SCHEMBL9303388 0.78 HPGD (0.51) SMN1; SMN2HPGDGAAALDH1A1TDP1
SCHEMBL10779951 0.78 HPGD (0.43) SMN1; SMN2HPGDGAATDP1TSHR
SCHEMBL12605038 0.77 POLB (0.56) POLBSMN1; SMN2GAATSHRTAS1R3
SCHEMBL9305453 0.77 ITGB1 (0.66) POLBHPGDGAAALDH1A1TDP1

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