SCHEMBL759684

SCHEMBL759684

COc1ccc(C(C)(C)c2ccc(OC(=O)Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6cccc(OC(C)=O)c6)C7=O)cc5C4=O)c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 2/20 0.46
TLR9 Q9NR96 2/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.42
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL760535 0.92 ESR1 (0.51) HSD17B10KMT2AMEN1NPC1TLR9
SCHEMBL14276111 0.81 CYP3A4 (0.50) KMT2AMEN1NPC1ALDH1A1LMNA
SCHEMBL11299180 0.81 CYP3A4 (0.50) KMT2AMEN1NPC1ALDH1A1LMNA
SCHEMBL14877646 0.79 HSD17B10 (0.68) HSD17B10KMT2AMEN1NPC1TLR9
SCHEMBL759685 0.79 NPSR1 (0.47) HSD17B10KMT2AMEN1NPC1TLR9
SCHEMBL14682218 0.77 BACE1 (0.49) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL15417137 0.77 BACE1 (0.49) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL13986166 0.77 BACE1 (0.49) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL10015730 0.77 BACE1 (0.49) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL12639229 0.76 MGLL (0.57) HSD17B10KMT2AMEN1ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426092-B2 Poly(imide-carbonate) polytetrafluoroethylene containing photoconductors XEROX CORPORATION (US) 2013-04-23 US disclosed
US-20120070769-A1 INTERMEDIATE TRANSFER MEMBER XEROX CORPORATION (US) 2012-03-22 US disclosed
US-8138300-B1 Intermediate transfer member XEROX CORPORATION (US) 2012-03-20 US disclosed
US-20120052426-A1 POLY(IMIDE-CARBONATE) POLYTETRAFLUOROETHYLENE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-03-01 US disclosed