SCHEMBL3288472

SCHEMBL3288472

CC(C)(C)c1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.78
RAB9A P51151 8/20 0.78
GFER P55789 2/20 0.78
HDAC6 Q9UBN7 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
RXFP1 Q9HBX9 4/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
MAPT P10636 5/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 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
SCHEMBL14947174 0.98 NPC1 (0.75) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL15745637 0.97 NPC1 (0.73) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL2246180 0.92 NPC1 (0.71) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL10045308 0.92 NPC1 (0.68) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL3368896 0.91 ESR1 (0.69) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL2242200 0.91 RAB9A (0.84) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL2244484 0.91 NPC1 (0.66) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL22103728 0.91 NPC1 (0.66) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL3288218 0.91 NPC1 (0.66) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL2242175 0.90 NPC1 (0.65) NPC1RAB9AGFERHDAC6HDAC3

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
US-7723114-B1 Methods and systems for detection of radionuclides CLEMSON UNIVERSITY (US) 2010-05-25 US disclosed
EP-1032850-B1 SELF-SCINTILLATING SHEET MATERIAL FOR RADIOACTIVE SPECIES ANALYSIS MINNESOTA MINING & MFG (US) 2003-12-17 EP disclosed
EP-1183554-A1 IN-SITU RADIOACTIVITY DETECTION 3M Innovative Properties Company (US) 2002-03-06 EP disclosed
WO-2000077545-A1 IN-SITU RADIOACTIVITY DETECTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO disclosed
US-6139749-A CONTACTING ENVIRONMENTAL FLUID WITH COMPOSITE SHEET MATERIAL COMPRISING SEPARATORS AND SCINTILLATORS ENTRAPPED IN POROUS MATRIX OR MEMBRANE 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US disclosed