SCHEMBL5330117

SCHEMBL5330117

CCC(CC(N)=O)OC(=O)Oc1cc(C=C(C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 8/20 0.60
▸ COMT P21964 5/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ABCC3 O15438 1/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.60
▸ EGFR P00533 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL5330112 1.00 FTO (0.60) FTOCOMTMEN1KMT2AABCC3
SCHEMBL14345844 0.93 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4943255 0.93 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4943265 0.93 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL14185403 0.91 FTO (0.59) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5323247 0.90 FTO (0.62) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5323241 0.90 FTO (0.62) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5329507 0.89 FTO (0.61) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4939244 0.88 FTO (0.61) FTOCOMTMEN1KMT2AABCC3
SCHEMBL14185400 0.88 FTO (0.61) FTOCOMTMEN1KMT2AABCC3

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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