SCHEMBL9064346

SCHEMBL9064346

C/C=C(\C)Cc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.43
CTBP2 P56545 1/20 0.42
IDO1 P14902 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 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
SCHEMBL6245981 1.00 AGXT (0.43) AGXTCTBP2IDO1L3MBTL1RAB9A
SCHEMBL13886153 0.80 CTBP2 (0.39) CTBP2IDO1L3MBTL1RAB9ANPC1
SCHEMBL15066420 0.79 TRPA1 (0.52) AGXTCTBP2IDO1TDP1TAAR1
SCHEMBL1965177 0.79 CYP3A4 (0.41) IDO1CYP1A2
SCHEMBL1782936 0.79 CTBP2 (0.38) AGXTCTBP2IDO1L3MBTL1RAB9A
SCHEMBL1782938 0.79 CTBP2 (0.38) AGXTCTBP2IDO1L3MBTL1RAB9A
SCHEMBL523309 0.78 CES1 (0.48) CTBP2L3MBTL1ALDH1A1
SCHEMBL4226247 0.77 IDO1 (0.48) AGXTCTBP2IDO1L3MBTL1RAB9A
SCHEMBL21534728 0.77 MEN1 (0.41) AGXTCTBP2IDO1L3MBTL1RAB9A
SCHEMBL22481094 0.76 HTT (0.53) AGXTCTBP2IDO1SMN1; SMN2ALDH1A1

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
EP-0546266-B1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1996-04-17 EP claimed
US-5276230-A Cyclization dehydrogenation of 2-methyl-1-(p-tolyl) butene or butane with a platinum or aluminum catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-01-04 US claimed
EP-0546266-A1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-16 EP claimed
EP-0557722-B1 Process for producing 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1996-11-13 EP disclosed
EP-0546266-B1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1996-04-17 EP disclosed
US-5321178-A Cyclization dehydrogenation of 2-methyl-1-(p-tolyl) butane or butene using catalyst of palladium component and alkali or alkaline earth component supprted on alumina MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-06-14 US disclosed
US-5276230-A Cyclization dehydrogenation of 2-methyl-1-(p-tolyl) butene or butane with a platinum or aluminum catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-01-04 US disclosed
EP-0557722-A2 Process for producing 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-01 EP disclosed
EP-0546266-A1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-16 EP disclosed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US disclosed