SCHEMBL23400751

SCHEMBL23400751

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.36
▸ TYMP P19971 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL23398883 0.95 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL23398946 0.93 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL11221065 0.91 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23403244 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402619 0.87 NPC1 (0.38) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23401052 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL23400100 0.83 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23400141 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL23402867 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL23400903 0.81 NPC1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E

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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