SCHEMBL23399703

SCHEMBL23399703

CCCc1c(CC)[nH]n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ TYMP P19971 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYBB P04839 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31
▸ KDM4E B2RXH2 2/20 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
SCHEMBL23401208 0.90 TYMP (0.33) POLBTYMPMEN1KMT2ACYBB
SCHEMBL23403029 0.89 TYMP (0.36) TYMPKDM4E
SCHEMBL23401585 0.85 MEN1 (0.33) MEN1KMT2AGLAKDM4E
SCHEMBL23403194 0.85 KDM4E (0.33) TYMPKDM4E
SCHEMBL23401055 0.84 KDM4E (0.33) POLBMEN1KMT2AGLAKDM4E
SCHEMBL23402934 0.82 HTT (0.32) —
SCHEMBL23403009 0.81 TYMP (0.36) TYMPKDM4E
SCHEMBL23403629 0.81 ALDH1A1 (0.33) POLBTYMPMEN1KMT2AKDM4E
SCHEMBL23399919 0.78 TYMP (0.32) TYMPCYBBNOX4NOX1
SCHEMBL23403025 0.78 KDM4E (0.42) TYMPKDM4E

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
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