SCHEMBL23398984

SCHEMBL23398984

CCCCc1c(CC(C)C)[nH]n(CCCC)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ GRM5 P41594 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
SCHEMBL23402818 0.94 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23401658 0.94 KDM4E (0.32) KDM4EALDH1A1LMNAHPGDNPC1
SCHEMBL23401953 0.91 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23400482 0.89 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23401051 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23403181 0.88 KDM4E (0.32) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23402460 0.88 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23401052 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23402867 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23400141 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DKDM4E

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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