SCHEMBL23403629

SCHEMBL23403629

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TYMP P19971 1/20 0.31

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
SCHEMBL23399386 0.89 PDE4A (0.37) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL23400838 0.89 TYMP (0.34) ALDH1A1KDM4ETYMP
SCHEMBL23401153 0.89 SMN1; SMN2 (0.36) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23399919 0.87 TYMP (0.32) TYMP
SCHEMBL23401698 0.86 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1KMT2ATYMP
SCHEMBL23398409 0.85 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23399211 0.83 HTT (0.36) ALDH1A1KDM4E
SCHEMBL23402174 0.82 TYMP (0.34) ALDH1A1KDM4EMEN1KMT2ATYMP
SCHEMBL23402867 0.82 PDE4A (0.37) ALDH1A1KDM4EMEN1KMT2ATYMP
SCHEMBL23399703 0.81 POLB (0.33) KDM4EMEN1KMT2APOLBTYMP

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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