SCHEMBL3399454

SCHEMBL3399454

C=CCc1ccc2cc(CCCCC)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.50
THRA P10827 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BDKRB2 P30411 1/20 0.44
ALDH1A1 P00352 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
XDH P47989 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6563401 0.85 BDKRB2 (0.55) BDKRB2ALDH1A1TP53CYP3A4ESR1
SCHEMBL9311279 0.83 THRB (0.56) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL27995689 0.83 PTGS2 (0.57) BDKRB2ALDH1A1PPARATP53CYP3A4
SCHEMBL27844768 0.83 PTGS2 (0.57) BDKRB2ALDH1A1PPARATP53CYP3A4
SCHEMBL11690859 0.83 PTGS2 (0.57) BDKRB2ALDH1A1PPARATP53CYP3A4
SCHEMBL11222681 0.83 PTGS2 (0.57) BDKRB2ALDH1A1PPARATP53CYP3A4
SCHEMBL6801310 0.82 THRB (0.57) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL5613810 0.82 THRB (0.57) THRBTHRAMEN1KMT2AALDH1A1
Propene SCHEMBL3399459 0.81 SIGMAR1 (0.54) THRBTHRA
SCHEMBL23635457 0.81 ESR1 (0.55) BDKRB2ALDH1A1PPARATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265182-A Method for preparing 2,6-naphthalic acid SHANGHAI HONGJINYIN INDUSTRY C (CN) 2008-09-17 CN claimed
EP-0541782-B1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE AMOCO CORP (US) 1996-02-07 EP claimed
US-5262560-A Process for preparing purified dimethyl naphthalenedicarboxylate AMOCO CORPORATION (US) 1993-11-16 US claimed
US-5254719-A Esterification, crystallization and recrystallization for removal of cobalt and manganese catalyst residues AMOCO CORPORATION (US) 1993-10-19 US claimed
EP-0541782-A1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE. AMOCO CORP (US) 1993-05-19 EP claimed
WO-1992021645-A1 PROCESS FOR PREPARING PURIFIED DIMETHYL NAPHTHALENEDICARBOXYLATE AMOCO CORPORATION (US) 1992-12-10 WO claimed
EP-0324342-B1 PROCESS FOR PRODUCING 2,6-NAPHTHALENE DICARBOXYLIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-09 EP claimed
US-5110982-A PROCESS FOR PRODUCING 2,6-NAPTHALENE DICARBOXYLIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-05-05 US claimed
EP-0439007-A2 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-07-31 EP claimed
EP-0212221-B1 PROCESS FOR THE PREPARATION OF NAPHTHALENE-2,6-DICARBOXYLIC ACID HÜLS AKTIENGESELLSCHAFT (DE) 1990-05-09 EP claimed
US-4886906-A OXIDIZING 2-ALKYL-6-ACYLNAPHTHALENE USING CATALYST OF COBALT, MANGANESE, BROMINE AND IRON OR COPPER IN ACETIC ACID SOLVENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-12 US claimed
EP-0324342-A1 Process for producing 2,6-naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-07-19 EP claimed
US-4764638-A Method for the preparation of 2,6-naphthalene dicarboxylic acid DYNAMIT NOBEL AG (DE) 1988-08-16 US claimed
CN-113185400-B Purification method of 2, 6-naphthalene dicarboxylic acid 唐山开滦化工科技有限公司 2022-12-27 CN disclosed
CN-113185400-A Purification method of 2, 6-naphthalenedicarboxylic acid 唐山开滦化工科技有限公司 2021-07-30 CN disclosed
CN-107879909-A A kind of method using micro passage reaction synthesizing acyl naphthalene 北京石油化工学院 2018-04-06 CN disclosed
EP-0212480-A1 Process for the production of 6-acyl-2-alkyl-naphthalene RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
EP-0212480-A1 Process for the production of 6-acyl-2-alkyl-naphthalene RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
EP-0202403-A1 Process for the acylation of 2-alkyl naphthalenes RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1986-11-26 EP disclosed
CN-86101420-A The acidylate of naphthalene 1986-11-12 CN disclosed