SCHEMBL23401208

SCHEMBL23401208

CCCc1[nH]n(C)c(=O)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.33
▸ PDE4A P27815 5/20 0.32
▸ ADORA2A P29274 5/20 0.32
▸ PDE4B Q07343 5/20 0.32
▸ PDE4C Q08493 5/20 0.32
▸ PDE4D Q08499 5/20 0.32
▸ ADORA2B P29275 4/20 0.32
▸ CYBB P04839 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ADORA3 P0DMS8 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
SCHEMBL23403009 0.90 TYMP (0.36) TYMPPDE4AADORA2APDE4BPDE4C
SCHEMBL23403194 0.90 KDM4E (0.33) TYMPKDM4EALOX5
SCHEMBL23399703 0.90 POLB (0.33) TYMPCYBBNOX4NOX1KDM4E
SCHEMBL23401055 0.90 KDM4E (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL23400049 0.84 TYMP (0.37) TYMPKDM4EALOX5
SCHEMBL23402934 0.83 HTT (0.32) —
SCHEMBL23402796 0.83 HTT (0.32) POLB
SCHEMBL23399670 0.79 PDE4A (0.32) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL23403025 0.79 KDM4E (0.42) TYMPKDM4E
SCHEMBL23403029 0.79 TYMP (0.36) TYMPKDM4EALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback