SCHEMBL1648335

SCHEMBL1648335

CCCCCc1ccc2cc(C)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
CYP1A2 P05177 1/20 0.50
BDKRB2 P30411 1/20 0.47
SKP2 Q13309 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46

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
SCHEMBL10873954 0.96 CYP1A2 (0.46) CYP2A6CYP1A2BDKRB2SKP2IGF1R
Ammonia Solution, Strong SCHEMBL27919205 0.96 ESR1 (0.47) CYP2A6CYP1A2BDKRB2ESR1ADRA2A
Ammonia Solution, Strong SCHEMBL27937823 0.96 ESR1 (0.47) CYP2A6CYP1A2BDKRB2ESR1ADRA2A
SCHEMBL3403193 0.94 CYP2A6 (0.52) CYP2A6CYP1A2BDKRB2SKP2IGF1R
Ammonia Solution, Strong SCHEMBL27919258 0.92 CYP2A6 (0.50) CYP2A6CYP1A2BDKRB2SKP2IGF1R
Ammonia Solution, Strong SCHEMBL27919143 0.91 CYP1A2 (0.48) CYP2A6CYP1A2ESR1ADRA2AADORA3
Ammonia Solution, Strong SCHEMBL27919155 0.91 CYP1A2 (0.48) CYP2A6CYP1A2ESR1ADRA2AADORA3
SCHEMBL6563401 0.90 BDKRB2 (0.55) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL11695865 0.89 CYP2A6 (0.54) CYP2A6CYP1A2SKP2IGF1RALOX15
SCHEMBL11222681 0.88 PTGS2 (0.57) BDKRB2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118080005-A Application of cocatalyst in 2-methylnaphthalene acylation reaction 品恩赢创(苏州)新材料科技有限公司 2024-05-28 CN claimed
CN-117986101-A Method for continuously synthesizing acyl naphthalene by coupling micromixer and reaction kettle 品恩赢创(苏州)新材料科技有限公司 2024-05-07 CN claimed
CN-114369018-B Method for continuously and synchronously rectifying acylation reaction liquid 煤炭科学技术研究院有限公司 2024-04-19 CN claimed
CN-114349621-B Method suitable for small continuous rectification of acylation reaction liquid 煤炭科学技术研究院有限公司 2024-04-02 CN claimed
CN-115554914-A Device and method for synthesizing 2-methyl-6-acylnaphthalene by continuous acylation 大连理工大学 2023-01-03 CN claimed
CN-112876359-B Preparation method of dimethyl 2, 6-naphthalene dicarboxylate 上海中化科技有限公司 2022-11-01 CN claimed
CN-113292409-B Method for separating high-purity 2-methyl-6-acylnaphthalene and 2-methyl-7-acylnaphthalene and application of rectification in method 中化国际新材料(河北)有限公司 2022-10-11 CN claimed
CN-114369018-A Method for continuously and synchronously rectifying acylation reaction liquid 煤炭科学技术研究院有限公司 2022-04-19 CN claimed
CN-114349621-A Method suitable for small-sized continuous rectification of acylation reaction liquid 煤炭科学技术研究院有限公司 2022-04-15 CN claimed
CN-113292409-A Method for separating high-purity 2-methyl-6-acylnaphthalene and 2-methyl-7-acylnaphthalene and application of rectification in method 中化国际新材料(河北)有限公司 2021-08-24 CN claimed
CN-112876359-A Preparation method of dimethyl 2, 6-naphthalenedicarboxylate 上海中化科技有限公司 2021-06-01 CN claimed
CN-108003007-A A kind of preparation method of chemical intermediate 2,6- naphthalenedicarboxylic acids 东莞市联洲知识产权运营管理有限公司 2018-05-08 CN claimed
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 claimed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US claimed
US-5026917-A Acetylation of 2-methylnaphthalenes AMOCO CORPORATION (US) 1991-06-25 US claimed
JP-3240751-A None JP disclosed
CN-118304906-A Combined catalyst for 2-methylnaphthalene acylation reaction and application thereof 品恩赢创(苏州)新材料科技有限公司 2024-07-09 CN disclosed
US-5026917-A Acetylation of 2-methylnaphthalenes AMOCO CORPORATION (US) 1991-06-25 US disclosed
US-5026917-A Acetylation of 2-methylnaphthalenes AMOCO CORPORATION (US) 1991-06-25 US disclosed
EP-0203276-A1 Process for the selective acylation of aromatic compounds RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1986-12-03 EP disclosed