SCHEMBL7872576

SCHEMBL7872576

CC(=O)Nc1cc(Cl)ccc1CCO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CCR1 P32246 1/20 0.45
LMNA P02545 2/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL9373094 0.87 KDM4E (0.54) KDM4EHSD17B10LMNAEPHX1KMT2A
SCHEMBL23524965 0.85 KDM4E (0.56) KDM4EHSD17B10LMNAEPHX1KMT2A
SCHEMBL9373680 0.83 KDM4E (0.54) KDM4EHSD17B10CCR1LMNAEPHX1
SCHEMBL7869032 0.82 SMN1; SMN2 (0.48) KDM4EHSD17B10CCR1LMNAEPHX1
SCHEMBL12393157 0.80 ALDH1A1 (0.42) KDM4ELMNAKMT2AMEN1POLB
SCHEMBL30105032 0.79 MEN1 (0.50) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL23831629 0.79 MEN1 (0.50) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5213501 0.78 KDM4E (0.49) KDM4EHSD17B10LMNAEPHX1KMT2A
SCHEMBL3782005 0.77 KDM4E (0.68) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL23831843 0.77 MEN1 (0.62) KDM4EHSD17B10LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306179-B1 FOR DYEING HAIR L'OREAL S.A. (FR) 2001-10-23 US disclosed
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP disclosed