SCHEMBL14345702

SCHEMBL14345702

CC(=O)/C(C#N)=C/c1cc(OC(=O)OCCOCCOCCOCCO)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ FTO Q9C0B1 6/20 0.45
▸ COMT P21964 2/20 0.45
▸ ABCC3 O15438 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ HTT P42858 1/20 0.40

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
SCHEMBL14185409 0.89 FTO (0.62) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4940512 0.82 FTO (0.63) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4940519 0.82 FTO (0.63) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL14185410 0.81 FTO (0.61) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4939177 0.78 FTO (0.67) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4939184 0.78 FTO (0.67) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4941719 0.77 FTO (0.56) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4941716 0.77 FTO (0.56) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4939120 0.76 FTO (0.65) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL4939116 0.76 FTO (0.65) EGFRMEN1KMT2AALDH1A1MAPT

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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