SCHEMBL23399437

SCHEMBL23399437

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TYMP P19971 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RORA P35398 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RORB Q92753 1/20 0.31
▸ SIRT1 Q96EB6 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
SCHEMBL23403436 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400855 0.93 TYMP (0.33) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL23399785 0.88 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23402748 0.88 TYMP (0.34) KDM4EALDH1A1LMNAHPGDTYMP
SCHEMBL23400766 0.85 ALDH1A1 (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23399674 0.85 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400189 0.85 TYMP (0.34) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL23402697 0.83 ALDH1A1 (0.33) MEN1KMT2AKDM4EALDH1A1TYMP
SCHEMBL23398604 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL23400751 0.81 PDE4A (0.38) 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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