SCHEMBL23401153

SCHEMBL23401153

CCCn1[nH]c(CC)c(CC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23398409 0.89 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23403629 0.89 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23402298 0.89 PDE4A (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL23400838 0.85 TYMP (0.34) ALDH1A1KDM4EHPGD
SCHEMBL23403132 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23403494 0.84 HTT (0.34) ALDH1A1
SCHEMBL23398389 0.84 HTT (0.34) SMN1; SMN2ALDH1A1
SCHEMBL23399977 0.83 KDM4E (0.32) ALDH1A1KDM4EHPGD
SCHEMBL23399156 0.80 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23400523 0.80 ALDH1A1 (0.35) ALDH1A1KDM4E

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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