SCHEMBL23400214

SCHEMBL23400214

CCCCn1[nH]c(-c2ccc(C)cc2)c(CC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ADORA2A P29274 3/20 0.39
▸ ADORA2B P29275 3/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ RGS4 P49798 1/20 0.36
▸ RGS8 P57771 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ CYBB P04839 1/20 0.34
▸ NOX4 Q9NPH5 1/20 0.34
▸ NOX1 Q9Y5S8 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
SCHEMBL23402321 0.91 CYBB (0.40) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23403275 0.91 ADORA2A (0.43) ADORA2AADORA2BTP53LMNACYBB
SCHEMBL23403001 0.90 CYBB (0.44) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23403309 0.87 MEN1 (0.57) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23403387 0.87 MEN1 (0.36) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23400763 0.86 ADORA2A (0.41) MEN1KMT2AADORA2AADORA2BTP53
SCHEMBL23400229 0.85 MEN1 (0.41) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23401104 0.85 RAB9A (0.36) ADORA2AADORA2BTP53CYBBNOX4
SCHEMBL23403403 0.84 KMT2A (0.40) MEN1KMT2AADORA2AADORA2BPDE4A
SCHEMBL23400450 0.84 KMT2A (0.48) MEN1KMT2APDE4APDE4BPDE4C

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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