SCHEMBL23400141

SCHEMBL23400141

CCCCc1c(CCC)[nH]n(CCCC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.37
▸ PDE4B Q07343 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ PDE4D Q08499 5/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TYMP P19971 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADORA2A P29274 4/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL23401751 0.95 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401052 0.95 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23398726 0.93 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402174 0.93 TYMP (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402867 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400767 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402125 0.88 TYMP (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401933 0.88 TYMP (0.35) KDM4EALDH1A1LMNAHPGDTYMP
SCHEMBL23401698 0.86 ALDH1A1 (0.32) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401176 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1

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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