SCHEMBL23400440

SCHEMBL23400440

CCCCc1[nH]n(CC(C)C)c(=O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RGS4 P49798 1/20 0.32
▸ RGS8 P57771 1/20 0.32
▸ GLA P06280 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL23400921 0.92 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23401351 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23398640 0.90 KMT2A (0.34) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23401459 0.89 MEN1 (0.32) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23401231 0.88 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23402360 0.88 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23401687 0.85 SMN1; SMN2 (0.36) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23403575 0.83 TYMP (0.32) KDM4E
SCHEMBL23403181 0.83 KDM4E (0.32) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23401176 0.82 PDE4A (0.37) ALDH1A1KMT2AMEN1HPGDKDM4E

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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