SCHEMBL7105419

SCHEMBL7105419

O=C(O)CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CASP3 P42574 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ SOAT1 P35610 2/20 0.52
▸ HDAC1 Q13547 5/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49

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
SCHEMBL7111223 0.85 SOAT1 (0.51) KMT2AMEN1SOAT1HDAC1HDAC6
SCHEMBL7108738 0.85 HDAC1 (0.54) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL7110207 0.81 PPARG (0.52) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL7109979 0.78 POLB (0.65) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL7104358 0.78 KMT2A (0.59) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL7105944 0.78 POLB (0.52) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL21665206 0.77 MEN1 (0.84) KMT2AMEN1MAPTCASP3ALDH1A1
SCHEMBL21665202 0.77 HTT (0.60) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL3806017 0.77 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL7107371 0.77 POLB (0.82) KMT2AMEN1MAPTCASP3ALDH1A1

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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