SCHEMBL6661840

SCHEMBL6661840

CCCCc1cc(C(C)C)c(O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.60
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
LMNA P02545 3/20 0.49
PKM P14618 3/20 0.45
TYR P14679 3/20 0.43
HTT P42858 4/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPA1 O75762 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 4/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL6235501 0.89 TRPV1 (0.56) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL10271616 0.87 TRPV1 (0.48) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL4436997 0.82 TRPV1 (0.74) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL12457245 0.82 TYR (0.50) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL28228079 0.82 CYP1A2 (0.54) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL1245168 0.82 CYP1A2 (0.57) TRPV1MAPK1CYP1A2CYP2D6LMNA
SCHEMBL5677691 0.81 TYR (0.52) TRPV1MAPK1PKMTYRHTT
SCHEMBL20837246 0.80 TRPV1 (0.41) TRPV1MAPK1CYP1A2CYP2D6TYR
SCHEMBL4010705 0.80 TYR (0.55) TRPV1MAPK1PKMTYRHTT
SCHEMBL69265 0.80 CYP1A2 (0.58) TRPV1MAPK1CYP1A2CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309929-A1 PROCESS AND APPARATUS FOR PRODUCING ALIPHATIC POLYESTER KUREHA CORPORATION (JP) 2012-12-06 US disclosed
CN-100439309-C preparation 3 DU PONT (CH) 2008-12-03 CN disclosed
CN-100368367-C Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols DU PONT (CH) 2008-02-13 CN disclosed
CN-1307237-C Polymeric, phosphorous-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions DU PONT (CH) 2007-03-28 CN disclosed
CN-1800127-A Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols DU PONT (CH) 2006-07-12 CN disclosed
CN-1615288-A Process for preparing 3,3 ', 6', 6 '-tetraalkyl-2, 2' -biphenols and 3,3 ', 6, 6' -tetraalkyl-5, 5 '-dihalo-2, 2' -biphenols DU PONT (US) 2005-05-11 CN disclosed
EP-1467958-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-20 EP disclosed
EP-1448503-A1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS INVISTA Technologies S.à.r.l. (US) 2004-08-25 EP disclosed
WO-2003045883-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 WO disclosed
WO-2003045884-A1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 WO disclosed