SCHEMBL23402697

SCHEMBL23402697

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ TYMP P19971 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
SCHEMBL23403436 0.90 PDE4A (0.36) MEN1KMT2A
SCHEMBL23400855 0.90 TYMP (0.33) ALDH1A1KDM4EHTTTYMP
SCHEMBL23403552 0.87 TYMP (0.31) TYMP
SCHEMBL23402706 0.87 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL23398575 0.84 HTT (0.35) ALDH1A1HTT
SCHEMBL23400815 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2AHTT
SCHEMBL23403627 0.84 TYMP (0.31) TYMP
SCHEMBL23399437 0.83 PDE4A (0.36) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL23402055 0.79 TYMP (0.30) TYMP
SCHEMBL23400100 0.78 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2ATYMP

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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