SCHEMBL7109979

SCHEMBL7109979

O=C(O)CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HPGD P15428 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GAA P10253 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7822933 0.88 L3MBTL1 (0.71) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7104681 0.85 ALDH1A1 (0.53) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL7111208 0.84 ALDH1A1 (0.63) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7104358 0.82 KMT2A (0.59) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7823335 0.81 POLB (0.54) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7107371 0.80 POLB (0.82) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7110198 0.79 POLB (0.54) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL27909122 0.79 POLB (1.00) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL21665205 0.79 CYP2C9 (0.60) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7105944 0.78 POLB (0.52) POLBALDH1A1KMT2AMEN1CYP2C9

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 — — EP disclosed
Send feedback