SCHEMBL23401055

SCHEMBL23401055

CCCc1[nH]n(C)c(=O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4A P27815 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ POLB P06746 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
SCHEMBL23401208 0.90 TYMP (0.33) KDM4EMEN1KMT2APDE4AADORA2A
SCHEMBL23399984 0.89 TYMP (0.33) KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23401585 0.85 MEN1 (0.33) KDM4EMEN1KMT2ASMN1; SMN2GLA
SCHEMBL23403009 0.85 TYMP (0.36) KDM4EPDE4AADORA2AADORA2BPDE4B
SCHEMBL23399703 0.84 POLB (0.33) KDM4EMEN1KMT2AGLAPOLB
SCHEMBL23402796 0.82 HTT (0.32) POLB
SCHEMBL23398409 0.81 KDM4E (0.36) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23403194 0.81 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23401727 0.78 — —
SCHEMBL23400049 0.78 TYMP (0.37) KDM4EALDH1A1HPGD

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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