SCHEMBL5065343

SCHEMBL5065343

NC(=O)[C@H](O)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
CXCL8 P10145 1/20 0.45
AOC3 Q16853 1/20 0.44
ACP3 P15309 1/20 0.42
GLS O94925 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BLM P54132 1/20 0.39
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 1/20 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
SCHEMBL5065346 1.00 CASP1 (0.49) CASP1CXCL8AOC3ACP3GLS
SCHEMBL2391371 0.85 CXCL8 (0.41) CASP1CXCL8AOC3ALDH1A1
SCHEMBL9518776 0.83 CXCL8 (0.47) CASP1CXCL8AOC3ACP3ADRB2
SCHEMBL29398319 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL24732 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL197618 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL24733 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL29501895 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL29465008 0.81 LMNA (0.52) CASP1CXCL8AOC3ACP3GLS
SCHEMBL23300492 0.79 CXCL8 (0.45) CASP1CXCL8AOC3ACP3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050202545-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-15 US claimed
US-20080261286-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-10-23 US disclosed
US-20080261286-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-10-23 US disclosed
US-20050202545-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-15 US disclosed
US-20050202545-A1 Methods for producing optically active alpha-hydroxy amides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-15 US disclosed
JP-2005218348-A METHOD FOR PRODUCING OPTICALLY ACTIVE α-HYDROXY AMIDE DAICEL CHEM IND LTD 2005-08-18 JP disclosed