SCHEMBL28204656

SCHEMBL28204656

CC(C)C[C@@H](C(=O)O)N(N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
RNPEP Q9H4A4 1/20 0.44
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
CPA1 P15085 2/20 0.41
SLC1A1 P43005 2/20 0.41
CACNA2D1 P54289 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
LAP3 P28838 2/20 0.36
ANPEP P15144 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
SCHEMBL10971592 0.78 RNPEP (0.46) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL14890257 0.78 RNPEP (0.52) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL244271 0.78 RNPEP (0.52) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL244272 0.78 RNPEP (0.52) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL5596013 0.78 RNPEP (0.46) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL7411914 0.76 RNPEP (0.44) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL8373941 0.76 RNPEP (0.44) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL3381425 0.76 RNPEP (0.44) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL22383970 0.76 SLC7A5 (0.50) SLC7A5RNPEPSLC1A3SLC1A2CPA1
SCHEMBL3047828 0.76 RNPEP (0.44) SLC7A5RNPEPSLC1A3SLC1A2CPA1

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-111205428-B Polyurethane-urea fiber material and preparation method and application thereof 香港理工大学深圳研究院 2022-03-08 CN claimed
CN-111205428-A Polyurethane-urea fiber material and preparation method and application thereof 香港理工大学深圳研究院 2020-05-29 CN claimed
CN-111205428-B Polyurethane-urea fiber material and preparation method and application thereof 香港理工大学深圳研究院 2022-03-08 CN disclosed
CN-107778446-A Degradation time is controllable, the adjustable medical degradable polyurethane of elongation at break 圆容生物医药无锡有限公司 2018-03-09 CN disclosed