SCHEMBL28286159

SCHEMBL28286159

CC(C)CC(C(=O)O)C(C#N)(CC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
CPA1 P15085 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30386311 0.87 CTSS (0.37) RNPEPSLC7A5CTSSCTSKCTSL
SCHEMBL28761338 0.82 CTSL (0.33) CTSSCTSKCTSLCTSB
SCHEMBL7706396 0.79 CTSS (0.35) CTSSCTSKCTSLCTSB
SCHEMBL28623197 0.78 TSHR (0.36) ALDH1A1MEN1KMT2A
SCHEMBL23142398 0.76 GRM2 (0.30)
SCHEMBL29008535 0.76 TSHR (0.37) ALDH1A1LMNA
SCHEMBL28284634 0.73 CTSS (0.34) CTSSCTSKCTSLCTSBLMNA
SCHEMBL17376951 0.73 RNPEP (0.40) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL28621557 0.72 CTSL (0.31) CTSSCTSKCTSLCTSB
SCHEMBL28286187 0.72 TSHR (0.35) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608937-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-19 CN claimed
CN-106608933-B Catalytic component and its preparation method and application for olefinic polymerization 中国石油化工股份有限公司 2019-03-26 CN claimed
CN-111234066-B Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2021-07-30 CN disclosed
CN-111234066-A Solid catalyst component for olefin polymerization, olefin polymerization catalyst and application thereof 中国石油化工股份有限公司 2020-06-05 CN disclosed
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN disclosed