SCHEMBL759685

SCHEMBL759685

COc1ccc(C(C)(C)c2ccc(OC(=O)Oc3cccc(-n4c(=O)c5cc6c(=O)n(-c7cccc(OC(C)=O)c7)c(=O)c6cc5c4=O)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.42
TP53 P04637 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL760421 0.91 NPSR1 (0.54) NPSR1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL14276111 0.85 CYP3A4 (0.50) CYP3A4TP53KMT2AMEN1ALDH1A1
SCHEMBL11299180 0.85 CYP3A4 (0.50) CYP3A4TP53KMT2AMEN1ALDH1A1
SCHEMBL759682 0.81 NPSR1 (0.43) NPSR1CYP3A4TP53KMT2AMEN1
SCHEMBL12603929 0.80 LMNA (0.47) NPSR1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL759684 0.79 HSD17B10 (0.54) KMT2AMEN1ALDH1A1HSD17B10LMNA
SCHEMBL14877711 0.76 NPSR1 (0.54) NPSR1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL13526136 0.76 POLB (0.45) NPSR1HTTPOLBLMNAMAPT
SCHEMBL14682218 0.76 BACE1 (0.49) CYP3A4KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL13986166 0.76 BACE1 (0.49) CYP3A4KMT2AMEN1ALDH1A1HSD17B10

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