SCHEMBL7108870

SCHEMBL7108870

Nc1ccc(NC(=O)CCCC(=O)O)cc1-c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ CASP3 P42574 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ APEX1 P27695 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7110207 0.87 PPARG (0.52) PPARGNCOA2NCOA1HIF1ACASP3
SCHEMBL7108738 0.81 HDAC1 (0.54) CASP3MEN1KMT2AL3MBTL1POLB
SCHEMBL7108896 0.79 PPARG (0.51) PPARGNCOA2NCOA1HIF1AMEN1
SCHEMBL16817792 0.75 ALDH1A1 (0.56) CASP3MEN1KMT2AL3MBTL1POLB
SCHEMBL7106419 0.74 KMT2A (0.57) CASP3MEN1KMT2AL3MBTL1POLB
SCHEMBL7111208 0.74 ALDH1A1 (0.63) CASP3MEN1KMT2AL3MBTL1POLB
SCHEMBL7106301 0.73 ALDH1A1 (0.54) CASP3MEN1KMT2AL3MBTL1POLB
SCHEMBL7687717 0.73 HPGD (0.42) PPARGNCOA2NCOA1HIF1AMEN1
SCHEMBL7693399 0.72 HPGD (0.41) PPARGNCOA2NCOA1HIF1AMEN1
SCHEMBL1062852 0.71 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7

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
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