SCHEMBL4265490

SCHEMBL4265490

Cc1ccccc1C(C)c1cc(C(C)(C)CC(C)(C)C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
IDH1 O75874 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SHBG P04278 1/20 0.31

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
SCHEMBL29184833 0.87 NPC1 (0.41) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL8204058 0.84 NPC1 (0.48) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL1264000 0.83 NPC1 (0.36) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL301989 0.83 NPC1 (0.47) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL6419522 0.83 NPC1 (0.49) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL29454650 0.81 NPC1 (0.34) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL19547230 0.81 NPC1 (0.37) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL29379341 0.81 NPC1 (0.37) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL16540651 0.81 CYP3A4 (0.47) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL28904542 0.80 NPC1 (0.42) NPC1RAB9ALMNAPOLBMAPT

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
EP-2841970-B1 LIGHT-RESISTANT POLYURETHANE COMPOUND COVESTRO DEUTSCHLAND AG (DE) 2017-11-08 EP disclosed
EP-2751618-A2 COMPOSITE RESIN COMPOSITION AND METHOD FOR PRODUCING DENTAL COMPONENTS BY MEANS OF STEREO-LITHOGRAPHY Ivoclar Vivadent AG (LI) 2014-07-09 EP disclosed
WO-2013153183-A2 COMPOSITE RESIN COMPOSITION AND METHOD FOR PRODUCING DENTAL COMPONENTS BY MEANS OF STEREO-LITHOGRAPHY IVOCLAR VIVADENT AG (LI) 2013-10-17 WO disclosed
US-20090000727-A1 HARDCOAT LAYERS ON RELEASE LINERS 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed