SCHEMBL5804791

SCHEMBL5804791

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
RORC P51449 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL29463599 0.90 NPC1 (0.45) NPC1RAB9ARORCLMNAPOLB
SCHEMBL78803 0.90 NPC1 (0.45) NPC1RAB9ARORCLMNAPOLB
SCHEMBL713026 0.89 RORC (0.40) NPC1RAB9ARORCPOLBTSHR
SCHEMBL708739 0.86 RORC (0.40) NPC1RAB9ARORCPOLBTSHR
SCHEMBL712574 0.84 RORC (0.34) NPC1RAB9ARORCMAPT
SCHEMBL29364518 0.82 NPC1 (0.59) NPC1RAB9ARORCLMNAPOLB
SCHEMBL8777471 0.82 NPC1 (0.49) NPC1RAB9ARORCLMNAPOLB
SCHEMBL3381678 0.82 NPC1 (0.59) NPC1RAB9ARORCLMNAPOLB
Oxazole SCHEMBL28485458 0.82 NPC1 (0.37) NPC1RAB9ARORCLMNAPOLB
SCHEMBL4665971 0.82 NPC1 (0.35) NPC1RAB9ARORCLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454956-B1 EPOXY RESIN COMPOSITION EXCELLENT IN WEATHER RESISTANCE AND FIBER-REINFORCED COMPOSITE MATERIALS TORAY INDUSTRIES (JP) 2007-01-03 EP disclosed
WO-2006120199-A1 USE OF POLYETHYLENE IMINES FOR REDUCING THE RESIDUAL FORMALDEHYDE CONTENT OF POLYOXYMETHYLENES BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 WO disclosed
WO-2006120218-A1 IMPROVED METHOD FOR REMOVAL OF RESIDUAL MONOMER FROM POLYOXYMETHYLENES BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 WO disclosed
WO-2006089915-A1 METHOD FOR PRODUCING FORMALDEHYDE-POOR POLYOXYMETHYLEN BASF AKTIENGESELLSCHAFT (DE) 2006-08-31 WO disclosed
WO-2000055246-A1 ACID AND OXIDATION STABLE MOLDED PARTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
EP-0793687-B1 WEATHER-RESISTANT POLYOXYMETHYLENE MOULDING COMPOUNDS BASF AG (DE) 1998-10-14 EP disclosed
EP-0855424-A1 Moulded parts resistant to diesel fuel BASF AKTIENGESELLSCHAFT (DE) 1998-07-29 EP disclosed
EP-0802947-A1 WEATHER-RESISTANT POLYOXYMETHYLENE MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
EP-0793687-A1 WEATHER-RESISTANT POLYOXYMETHYLENE MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed
WO-1996017009-A1 WEATHER-RESISTANT POLYOXYMETHYLENE MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed
WO-1996017008-A1 WEATHER-RESISTANT POLYOXYMETHYLENE MOULDING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-06-06 WO disclosed