SCHEMBL5329137

SCHEMBL5329137

CCCCCN(CCCCC)C(=O)/C(C#N)=C/c1cc(OC(=O)OC(C)CCCC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 6/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ COMT P21964 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52
▸ EGFR P00533 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 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
SCHEMBL5329142 1.00 FTO (0.52) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4941186 0.94 FTO (0.61) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4941177 0.94 FTO (0.61) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4938752 0.88 FTO (0.63) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4938761 0.88 FTO (0.63) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4941789 0.85 FTO (0.65) FTOMEN1KMT2ACOMTABCC3
SCHEMBL4941843 0.85 FTO (0.65) FTOMEN1KMT2ACOMTABCC3
SCHEMBL5326690 0.83 FTO (0.55) FTOMEN1KMT2ACOMTABCC3
SCHEMBL5326695 0.83 FTO (0.55) FTOMEN1KMT2ACOMTABCC3
SCHEMBL5324825 0.83 FTO (0.67) FTOMEN1KMT2ACOMTABCC3

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
WO-2007144169-A2 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2007-12-21 — — WO disclosed
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