SCHEMBL1758882

SCHEMBL1758882

CC/C(C)=C/c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.39
TRPA1 O75762 2/20 0.38
PTGS2 P35354 2/20 0.38
ABCB11 O95342 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL1758883 1.00 CYP2A6 (0.41) CYP2A6ESR1ESR2NPC1RAB9A
SCHEMBL6247478 1.00 CYP2A6 (0.41) CYP2A6ESR1ESR2NPC1RAB9A
SCHEMBL27164759 0.83 KDM4E (0.42) CYP2A6NPC1RAB9ASMN1; SMN2CA1
SCHEMBL1758330 0.82 CYP2A6 (0.41) CYP2A6NPC1RAB9ASMN1; SMN2CA1
SCHEMBL1758165 0.82 CYP2A6 (0.41) CYP2A6NPC1RAB9ASMN1; SMN2CA1
SCHEMBL28660052 0.82 ESR1 (0.59) ESR1ESR2SMN1; SMN2PTGS2CYP3A4
SCHEMBL3595056 0.80 GSK3B (0.42) CYP2A6NPC1RAB9ASMN1; SMN2CA1
SCHEMBL18483455 0.80 CYP19A1 (0.41) ESR1ESR2NPC1RAB9ATRPA1
SCHEMBL4697789 0.80 CYP2A6 (0.39) CYP2A6NPC1RAB9ASMN1; SMN2CA1
SCHEMBL14419183 0.80 TRPA1 (0.58) TRPA1PTGS2ABCB11SIGMAR1CYP2C9

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135352-B1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE OPTATECH CORP (FI) 2005-08-10 EP claimed
US-6472576-B1 Process for preparing 2,6-dimethylnaphthalene OPTATECH CORPORATION (FI) 2002-10-29 US claimed
EP-1135352-A1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE Optatech Corporation (FI) 2001-09-26 EP claimed
US-6127589-A CATALYST SELECTIVITY OPTATECH OY (FI) 2000-10-03 US claimed
WO-2000034212-A1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE OPTATECH CORPORATION (FI) 2000-06-15 WO claimed
EP-0886632-B1 Preparation of 2,6 - dimethylnaphthaline OPTATECH OY (FI) 2000-05-10 EP claimed
EP-0886632-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION Optatech Oy (FI) 1998-12-30 EP claimed
WO-1997030012-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION OPTATECH OY (FI) 1997-08-21 WO claimed
EP-2496674-A1 ODORANTS WITH ANISIC NOTES Firmenich S.A. (CH) 2012-09-12 EP disclosed
WO-2011051834-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2011-05-05 WO disclosed
EP-1135352-B1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE OPTATECH CORP (FI) 2005-08-10 EP disclosed
EP-1135352-B1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE OPTATECH CORP (FI) 2005-08-10 EP disclosed
CN-1182086-C Process for preparing 2,6-dimethylnaphthalene 2004-12-29 CN disclosed
US-6472576-B1 Process for preparing 2,6-dimethylnaphthalene OPTATECH CORPORATION (FI) 2002-10-29 US disclosed
EP-0868416-A1 MANUFACTURING OF 2,6-DIMETHYLNAPHTHALENE Optatech Oy (FI) 1998-10-07 EP disclosed
EP-0868416-A1 MANUFACTURING OF 2,6-DIMETHYLNAPHTHALENE Optatech Oy (FI) 1998-10-07 EP disclosed
WO-1997030012-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION OPTATECH OY (FI) 1997-08-21 WO disclosed
WO-1997030012-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION OPTATECH OY (FI) 1997-08-21 WO disclosed
WO-1997002225-A1 MANUFACTURING OF 2,6-DIMETHYLNAPHTHALENE OPTATECH OY (FI) 1997-01-23 WO disclosed
WO-1997002225-A1 MANUFACTURING OF 2,6-DIMETHYLNAPHTHALENE OPTATECH OY (FI) 1997-01-23 WO disclosed