SCHEMBL5330052

SCHEMBL5330052

CCOC(=O)Oc1cc(/C=C(/C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 6/20 0.70
▸ COMT P21964 4/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ ABCC3 O15438 1/20 0.70
▸ ABCC4 O15439 1/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ GPR35 Q9HC97 1/20 0.70
▸ EGFR P00533 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4941101 1.00 FTO (0.70) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4941097 1.00 FTO (0.70) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4946596 0.94 FTO (0.65) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4946608 0.94 FTO (0.65) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4933461 0.94 FTO (0.75) FTOCOMTKMT2AMEN1LMNA
SCHEMBL5323380 0.94 FTO (0.66) FTOCOMTKMT2AMEN1LMNA
SCHEMBL5323377 0.94 FTO (0.66) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4939177 0.93 FTO (0.67) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4939184 0.93 FTO (0.67) FTOCOMTKMT2AMEN1LMNA
SCHEMBL4939174 0.92 FTO (0.66) FTOCOMTKMT2AMEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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