SCHEMBL7765570

SCHEMBL7765570

CC(C)C[C@@H](C(=O)C[S+](C)[O-])N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.45
MMP3 P08254 3/20 0.45
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP7 P09237 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 1/20 0.38
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
ALOX5 P09917 1/20 0.36
CTSL P07711 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL7763922 0.86 HPGD (0.43) MEN1KMT2AHPGDALOX5NPC1
SCHEMBL7976210 0.86 HPGD (0.43) MEN1KMT2AHPGDALOX5NPC1
SCHEMBL9329102 0.81 MMP1 (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL9709399 0.80 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL15650703 0.78 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL15650705 0.78 MMP1 (0.50) MMP1MMP3MMP2MMP9MMP8
SCHEMBL56847 0.75 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL55669 0.75 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL55668 0.75 EPOR (0.52) MMP1MMP3MMP2MMP9MMP8
SCHEMBL5021056 0.75 MMP1 (0.48) MMP1MMP3MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239308-B1 REARRANGEMENT IN PRESENCE OF A BASE A KETO-HEMIMERCAPTAL CARBOXYLATE AJINOMOTO CO., INC. (JP) 2001-05-29 US disclosed
EP-0767168-B1 Alpha-acyloxy-beta-aminothiolcarboxylic esters and method and intermediates for their production AJINOMOTO KK (JP) 2001-05-23 EP disclosed
US-6169200-B1 ALPHA-ACYLOXY-THIOESTERS USEFUL ENZYME INHIBITORS, SUCH AS HIV PROTEASE AND RENIN AJINOMOTO CO., INC. (JP) 2001-01-02 US disclosed
US-5883284-A Method for producing α-hydroxy-β-aminocarboxylic acids AJINOMOTO CO., INC. (JP) 1999-03-16 US disclosed
US-5817859-A CHEMICAL INTERMEDIATE FOR ENZYME INHIBITORS, ANTICARCER AGENTS AJINOMOTO CO., INC. (JP) 1998-10-06 US disclosed
US-5705671-A REARRANGEMENTS TO FORM SULFOXY ESTER AMIDES FROM KETO HEMIMERCAPTAL CARBOXYLATE, REACTING N-PROTECTED ALPHA AMINO CARBOXYLATE WITH SULFOXIDE AND AMINO KETOSULFOXIDE AJINOMOTO CO., INC. (JP) 1998-01-06 US disclosed
EP-0767168-A2 Alpha-hydroxy-beta-aminothiolcarboxylic esters and method and intermediates for their production Ajinomoto Co., Inc. (JP) 1997-04-09 EP disclosed