SCHEMBL13013545

SCHEMBL13013545

CCC(C)C(O)c1cc(C(c2ccc(N)c(C(O)C(C)CC)c2)C(C)CC)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 6/20 0.37
KDM4E B2RXH2 6/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 4/20 0.34
HIF1A Q16665 3/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL13014599 0.94 ALDH1A1 (0.36) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13013597 0.90 TDP1 (0.42) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13013693 0.84 ALOX15 (0.34) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL14878827 0.81 ALDH1A1 (0.36) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13014615 0.80 CYP19A1 (0.32) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13013664 0.79 TDP1 (0.38) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13014888 0.77 KDM4E (0.38) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL4311640 0.75 TDP1 (0.44) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13014954 0.74 KDM4E (0.35) ALOX15HSD17B10ALDH1A1GAAUSP2
SCHEMBL13013695 0.72 KDM4E (0.33) ALOX15HSD17B10ALDH1A1GAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258683-A1 Bisazo compounds Clariant International Ltd. (CH) 2010-12-08 EP disclosed
WO-2010130382-A1 BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
WO-2010130377-A2 BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 WO disclosed
EP-2251322-A1 Bisazo compounds Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2251385-A1 Pyrazolone bisazo dyes Clariant International Ltd. (CH) 2010-11-17 EP disclosed
EP-2085429-A1 Basic bisazo compounds CLARIANT INTERNATIONAL LTD. (CH) 2009-08-05 EP disclosed