SCHEMBL14029372

SCHEMBL14029372

Nc1ccccc1C(=O)OCC(CO)(CO)COC(=O)c1ccccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
HSD17B10 Q99714 9/20 0.60
TSHR P16473 6/20 0.55
RAB9A P51151 3/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
HIF1A Q16665 2/20 0.54
GLA P06280 2/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL14029379 0.97 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL14030807 0.97 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL1509356 0.91 ALDH1A1 (0.66) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL11778352 0.87 ALDH1A1 (0.70) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL14181299 0.83 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL10389101 0.81 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL3197843 0.78 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL1805376 0.78 ALDH1A1 (0.80) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL30094641 0.78 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRRAB9AHPGD
SCHEMBL10537051 0.78 TDP1 (0.59) ALDH1A1HSD17B10TSHRRAB9AHPGD

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-1863885-B1 CONCENTRATED DYE SOLUTION CLARIANT FINANCE BVI LTD (VG) 2014-12-24 EP disclosed
US-20080264297-A1 Concentrated Dye Solution ARCHROMA IP GMBH (CH) 2008-10-30 US disclosed
US-20080264297-A1 Concentrated Dye Solution ARCHROMA IP GMBH (CH) 2008-10-30 US disclosed
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed