SCHEMBL6351508

SCHEMBL6351508

O=C(O)CC(NC(=O)CCl)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CTSA P10619 5/20 0.48
ITGB3 P05106 4/20 0.47
ITGAV P06756 3/20 0.47
ITGA2B P08514 2/20 0.47
KMT2A Q03164 1/20 0.45
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
ITGB8 P26012 1/20 0.44
CNR2 P34972 1/20 0.43
POLB P06746 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
SCHEMBL6859119 0.86 SMN1; SMN2 (0.53) PRNPNPSR1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL6355786 0.85 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAHTTNCOA1
SCHEMBL4630107 0.81 PRNP (0.51) PRNPNPSR1RXFP1CTSAITGB3
SCHEMBL4630103 0.81 PRNP (0.51) PRNPNPSR1RXFP1CTSAITGB3
SCHEMBL10680501 0.78 SLC6A9 (0.51) ALDH1A1SMN1; SMN2LMNAHTTNCOA1
SCHEMBL4867418 0.78 CNR2 (0.45) ALDH1A1SMN1; SMN2LMNAHTTNCOA1
SCHEMBL21274965 0.77 PRNP (0.60) PRNPNPSR1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL16681340 0.76 CTSA (0.45) PRNPNPSR1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL16681339 0.76 CTSA (0.45) PRNPNPSR1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL4862572 0.76 HTT (0.69) ALDH1A1SMN1; SMN2LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1643158-A Process for preparing optically active beta-aminocarboxylic acids from racemic N-acylated beta-aminocarboxylic acids DEGUSSA (DE) 2005-07-20 CN disclosed
US-20050153401-A1 Process for preparing optically active beta-aminocarboxylic acids from racemic n-acylated beta-aminocarboxylic acids DEGUSSA AG (DE) 2005-07-14 US disclosed
EP-1487990-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS Degussa AG (DE) 2004-12-22 EP disclosed
WO-2003080854-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS DEGUSSA AG (DE) 2003-10-02 WO disclosed