SCHEMBL7767131

SCHEMBL7767131

COC(=O)c1cc2cc(Br)ccc2cc1OC[C@@H]1OC(C)(C)O[C@H]1[C@H]1OC(C)(C)O[C@@H]1COc1cc2ccc(Br)cc2cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
RORC P51449 1/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
PRNP P04156 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NR4A2 P43354 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7767584 0.90 ALK (0.37) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7767000 0.89 KDM4E (0.39) KMT2AMEN1KDM4ERORCALDH1A1
SCHEMBL7767564 0.82 CASP1 (0.43) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7763872 0.82 KDM4E (0.42) NPC1RAB9AKDM4EPOLBMAPT
SCHEMBL7768526 0.82 MAPK14 (0.38) RORC
SCHEMBL7768507 0.79 ALDH1A1 (0.49) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7768549 0.78 DRD2 (0.37) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7763935 0.77 NPC1 (0.42) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL7763882 0.76 ALDH1A1 (0.41) RAB9AMAPTALDH1A1
SCHEMBL7763838 0.74 DRD2 (0.43) NPC1RAB9AMAPTALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0675145-B1 Xanthene polymers and copolymers GEN ELECTRIC (US) 1998-11-18 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed
US-5466777-A Xanthene polymers, and copolymers, and method for making GENERAL ELECTRIC COMPANY (US) 1995-11-14 US disclosed
EP-0675145-A2 Xanthene polymers and copolymers GENERAL ELECTRIC COMPANY (US) 1995-10-04 EP disclosed