SCHEMBL7555913

SCHEMBL7555913

C=CCc1ccc2ccc(CC=C)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ GABRA1 P14867 4/20 0.54
▸ GABRB2 P47870 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ GAA P10253 3/20 0.54
▸ CNR2 P34972 3/20 0.54
▸ PPARG P37231 2/20 0.54
▸ PPARD Q03181 2/20 0.54
▸ CNR1 P21554 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH2 P05091 1/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PPARA Q07869 1/20 0.50
▸ CYP3A4 P08684 4/20 0.48
▸ CYP1A2 P05177 2/20 0.48

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
SCHEMBL7043823 0.93 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL198193 0.93 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL11494827 0.93 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL7055734 0.93 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL253471 0.93 XDH (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL3259762 0.92 XDH (0.58) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL31195248 0.89 CYP1A2 (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL621971 0.89 CYP1A2 (0.54) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL4946818 0.88 XDH (0.46) XDHALDH1A1MAPTGABRA1GABRB2
SCHEMBL8246371 0.88 XDH (0.46) XDHALDH1A1MAPTGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946630-A Heat conducting oil mixture and preparation method thereof 中国石油化工股份有限公司 2024-04-30 — — CN claimed
EP-0812813-B1 Process for preparing dialkylnaphthalenes KOBE STEEL LTD (JP) 2002-03-20 — — EP claimed
WO-1998052900-A1 PROCESS FOR PREPARING PURIFIED AROMATIC POLYCARBOXYLIC ACIDS BP AMOCO CORPORATION (US) 1998-11-26 — — WO claimed
US-5770764-A SALT FORMATION WITH DI- OR TRIALKYLAMINE AMOCO CORPORATION (US) 1998-06-23 — — US claimed
US-5744670-A TRANSALKYLATION AND ISOMERIZATION OF A FEEDSTOCK COMPRISING ISOMERS OF DIALKYL NAPHTHALENE AND NAPHTHALENE WITH A CATALYST HAVING A SPECIFIC X-RAY DIFFRACTION PATTERNS KOBE STEEL, LTD. (JP) 1998-04-28 — — US claimed
EP-0812813-A2 Process for preparing dialkylnaphthalenes KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 1997-12-17 — — EP claimed
JP-10101592-A — — None — — JP disclosed
JP-7126194-A — — None — — JP disclosed
CN-118084598-A Synthesis method of 2, 6-dialkyl naphthalene 信诺立兴(沧州渤海新区)化工有限公司 2024-05-28 — — CN disclosed
CN-117946630-A Heat conducting oil mixture and preparation method thereof 中国石油化工股份有限公司 2024-04-30 — — CN disclosed
CN-117946630-A Heat conducting oil mixture and preparation method thereof 中国石油化工股份有限公司 2024-04-30 — — CN disclosed
CN-113233953-B Method for preparing 2, 6-di-tert-butyl naphthalene with high selectivity by naphthalene alkylation 浙江大学 2022-11-18 — — CN disclosed
CN-113233953-A Method for preparing 2, 6-di-tert-butyl naphthalene with high selectivity by naphthalene alkylation 浙江大学 2021-08-10 — — CN disclosed
JP-H07126194-A PRODUCTION OF DIALKYLNAPHTHALENE SEKIYU SANGYO KASSEIKA CENTER 1995-05-16 — — JP disclosed
US-5321182-A From naphthalene and polyethylbenzenes in the presence of an acid catalyst NIPPON STEEL CHEMICAL CO., LTD. (JP) 1994-06-14 — — US disclosed
EP-0487714-A4 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS — 1993-07-07 — — EP disclosed
US-5210355-A Ethylation of 2-methylnaphthalene with tri-, tetra-, or penta-ethylbenzene in the presence of a catalyst AMOCO CORPORATION (US) 1993-05-11 — — US disclosed
EP-0494315-A1 PROCESS FOR PRODUCING 2-ALKYL-6-ETHYL-NAPHTHALENE NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-07-15 — — EP disclosed
EP-0487714-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-06-03 — — EP disclosed
WO-1992000260-A1 SELECTIVE ETHYLATION OF NAPHTHALENE COMPOUNDS AMOCO CORPORATION (US) 1992-01-09 — — WO disclosed
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