SCHEMBL6690558

SCHEMBL6690558

CC(C)CC(CC(N)=O)C(=O)CS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
MMP3 P08254 3/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
RNPEP Q9H4A4 2/20 0.34
SLC7A5 Q01650 1/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ANPEP P15144 4/20 0.33
LAP3 P28838 1/20 0.33
CPA1 P15085 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL743997 0.79 SLC1A3 (0.43) SLC1A3SLC1A2RNPEPSLC7A5CACNA2D1
SCHEMBL1650677 0.79 SLC1A3 (0.43) SLC1A3SLC1A2RNPEPSLC7A5CACNA2D1
SCHEMBL21896208 0.77 SLC1A3 (0.36) SLC1A3SLC1A2SLC7A5CACNA2D1CACNB3
SCHEMBL20548024 0.77 SLC1A3 (0.57) SLC1A3SLC1A2RNPEPSLC7A5CACNA2D1
SCHEMBL7094101 0.77 SLC1A3 (0.57) SLC1A3SLC1A2RNPEPSLC7A5CACNA2D1
SCHEMBL6690561 0.73 SLC1A3 (0.39) SLC1A3SLC1A2RNPEPSLC7A5CACNA2D1
SCHEMBL4601386 0.72 MMP2 (0.46) SLC1A3SLC1A2MMP3MMP1MMP9
SCHEMBL7099858 0.72 MME (0.53) SLC1A3SLC1A2SLC7A5CACNA2D1CACNB3
SCHEMBL6826049 0.71 MMP3 (0.46) SLC1A3SLC1A2MMP3MMP1MMP9
SCHEMBL16141043 0.71 SLC1A3 (0.41) SLC1A3SLC1A2MMP1RNPEPSLC7A5

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
US-6740684-B2 FORMING OXYGEN AND METAL RESISTANT CATALYST FOR PRODUCTION OF BISPHENOL A; PARTIALLY NEUTRALIZING WITH ALKYLCARBAMOYL ALKYLTHIOESTER DOW GLOBAL TECHNOLOGIES INC. 2004-05-25 US disclosed
EP-1381463-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-21 EP disclosed
US-20030212151-A1 Process for producing a strong-acid cation exchange resin DOW CHEMICAL COMPANY, THE 2003-11-13 US disclosed
WO-2002024335-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2002-03-28 WO disclosed