SCHEMBL23400053

SCHEMBL23400053

CCCCn1[nH]c(-c2cccc(C)c2)c(C(C)(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ PGR P06401 2/20 0.36
▸ RORA P35398 2/20 0.36
▸ RORC P51449 2/20 0.36
▸ RORB Q92753 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK14 Q16539 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23401094 0.93 KDM4E (0.37) KMT2AMEN1KDM4ETP53ALDH1A1
SCHEMBL23399972 0.87 KMT2A (0.47) KMT2AMEN1KDM4ETP53CNR2
SCHEMBL23402578 0.86 MEN1 (0.51) KMT2AMEN1KDM4EPDE4APDE4B
SCHEMBL23400177 0.85 MEN1 (0.38) KMT2AMEN1KDM4ETP53CNR2
SCHEMBL23400450 0.82 KMT2A (0.48) KMT2AMEN1KDM4ETP53CNR2
SCHEMBL23402942 0.82 MEN1 (0.45) KMT2AMEN1KDM4ETP53CNR2
SCHEMBL23398887 0.81 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPK14HPGD
SCHEMBL23399028 0.81 KMT2A (0.50) KMT2AMEN1KDM4ETP53CNR2
SCHEMBL23399884 0.80 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPK14
SCHEMBL23400444 0.79 KDM4E (0.39) KMT2AMEN1KDM4ETP53TLR8

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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