SCHEMBL6946168

SCHEMBL6946168

CC(C)CC(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP8 P22894 3/20 0.36
MMP13 P45452 2/20 0.36
LARS1 Q9P2J5 3/20 0.35
HIF1A Q16665 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MME P08473 2/20 0.31
KISS1R Q969F8 3/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31

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
SCHEMBL8112167 0.72 CA1 (0.47) HIF1ASLC7A5CA1CA2L3MBTL1
SCHEMBL17949865 0.72 HIF1A (0.42) HIF1ASLC7A5CA1CA2L3MBTL1
SCHEMBL8111820 0.71 MMP1 (0.31) MMP1MMP2MMP8MMP13
SCHEMBL4677717 0.70 SLC7A5 (0.56) LARS1HIF1ASLC7A5ANPEPDNPEP
Hydrochloric Acid SCHEMBL27471876 0.70 CA1 (0.45) MMP2MMP8HIF1ASLC7A5CA1
SCHEMBL19559844 0.70 SLC7A5 (0.56) LARS1HIF1ASLC7A5ANPEPDNPEP
SCHEMBL8330499 0.70 SLC7A5 (0.56) LARS1HIF1ASLC7A5ANPEPDNPEP
SCHEMBL8097957 0.69 GAA (0.57) LARS1
SCHEMBL27470984 0.68 SLC1A3 (0.39) MMP1MMP2MMP8MMP13HIF1A
Bromide SCHEMBL11107160 0.68 SLC7A5 (0.54) LARS1HIF1ASLC7A5ANPEPDNPEP

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed