SCHEMBL7110207

SCHEMBL7110207

O=C(O)CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)O)c(-c2cccs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ APEX1 P27695 1/20 0.50
▸ CASP3 P42574 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL7108896 0.87 PPARG (0.51) PPARGNCOA2NCOA1HIF1AAPEX1
SCHEMBL7108870 0.87 PPARG (0.51) PPARGNCOA2NCOA1HIF1AAPEX1
SCHEMBL7105419 0.81 KMT2A (0.55) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL7104358 0.73 KMT2A (0.59) APEX1CASP3KMT2AMEN1POLB
SCHEMBL7109979 0.73 POLB (0.65) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL21665206 0.72 MEN1 (0.84) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL7107371 0.72 POLB (0.82) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL7110198 0.71 POLB (0.54) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL21665205 0.71 CYP2C9 (0.60) CASP3KMT2AMEN1POLBALDH1A1
SCHEMBL7105944 0.70 POLB (0.52) CASP3KMT2AMEN1POLBALDH1A1

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