SCHEMBL13014615

SCHEMBL13014615

CCCC(C)C(O)c1cc(C(c2ccc(N)cc2)C(C)CCC)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13013693 0.94 ALOX15 (0.34) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL14878792 0.89 CYP19A1 (0.34) CYP19A1ALDH1A1GAAUSP2PKM
SCHEMBL13014599 0.86 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13014888 0.86 KDM4E (0.38) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13523886 0.81 CYP19A1 (0.38) CYP19A1ALDH1A1GAAUSP2PKM
SCHEMBL13013545 0.80 ALOX15 (0.39) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL12982602 0.77 AOC3 (0.43) CYP19A1ALDH1A1GAAUSP2PKM
SCHEMBL14878827 0.77 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13014954 0.76 KDM4E (0.35) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13014960 0.75 KDM4E (0.31) ALDH1A1KDM4EMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258685-B1 Bisazo compounds CLARIANT FINANCE BV LTD (VG) 2013-10-23 EP disclosed
EP-2258685-A1 Bisazo compounds CLARIANT INTERNATIONAL LTD (CH) 2010-12-08 EP disclosed
WO-2010130379-A1 BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
WO-2010130384-A1 BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
EP-2251325-A1 Bisazo compounds Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251386-A1 Pyrazolone bisazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2085428-A1 Basic bisazo compounds Clariant International Ltd. (CH) 2009-08-05 EP disclosed