SCHEMBL342584

SCHEMBL342584

NCC(N)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
NR2E1 Q9Y466 1/20 0.46
HTR1B P28222 2/20 0.44
AOC3 Q16853 1/20 0.44
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
SLC6A4 P31645 1/20 0.41
ACP3 P15309 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9751547 1.00 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
SCHEMBL30509738 1.00 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Water SCHEMBL28672744 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Hydrochloric Acid SCHEMBL693195 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Hydrochloric Acid SCHEMBL2455223 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Hydrochloric Acid SCHEMBL2475384 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Oxalic Acid SCHEMBL17065865 0.89 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
Oxalic Acid SCHEMBL6474467 0.87 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1
SCHEMBL4371154 0.82 MTNR1A (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL4339652 0.82 CYP2C19 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2NR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115272028-A Ecological system ecological product intelligent monitoring method 重庆市生态环境科学研究院 2022-11-01 CN claimed
CN-115078273-A Device for researching response of sediment nutrient salt endogenous release strength to dissolved oxygen change and using method thereof 中山大学 2022-09-20 CN claimed
CN-113402576-B Cystine cholesterol gelator and preparation method thereof 中国农业大学 2022-06-24 CN claimed
CN-114605635-A High-strength self-induction hyperbranched bonding material and green preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-06-10 CN claimed
CN-114441723-A Wisdom ocean water quality safety supervisory systems based on internet 福建工程学院 2022-05-06 CN claimed
CN-109734909-B Polyimide powder and preparation method thereof 江苏先诺新材料科技有限公司 2021-07-16 CN claimed
EP-3675814-A1 COMPOSITION FOR TOPICAL TREATMENT OF NON-MICROORGANISM-CAUSED INFLAMMATORY SKIN AND MUCOUS-MEMBRANE DISEASES Bläss, Markus (DE) 2020-07-08 EP claimed
CN-106719248-B Self-circulation formula shrimp farming systems 青岛理工大学 2020-06-02 CN claimed
CN-111208120-A Ink-jet printing nitrite detection test paper immobilized by sol-gel 中国科学院大连化学物理研究所 2020-05-29 CN claimed
CN-107950442-B Salmon and trout breeding and feeding method 中国水产科学研究院黑龙江水产研究所 2020-05-29 CN claimed
CN-107064025-A A kind of assay method of Nitrobenzene in Wastewater class compound 台州市绿安检测技术有限公司 2017-08-18 CN claimed
WO-2015177792-A1 COMPOSITION AND METHOD FOR DETECTION OF MOLECULES OF INTEREST TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2015-11-26 WO claimed
US-8962336-B2 Soil diagnosis and improvement method THE RITSUMEIKAN TRUST (JP) 2015-02-24 US claimed
CN-103364395-A Test paper for quickly detecting nitrite in food TIANJIN KANGLIYUAN BIOLOG ENGINEERING CO LTD 2013-10-23 CN claimed
EP-0691148-B1 A method for separating double stranded DNA from single stranded DNA or RNA PERKIN ELMER CORP (US) 2002-07-10 EP claimed
EP-1042672-A1 SOLID PHASE TEST FOR ENDOTOXIN Allied Therapeutics Limited (GB) 2000-10-11 EP claimed
WO-1999053322-A1 SOLID PHASE TEST FOR ENDOTOXIN ALLIED THERAPEUTICS LIMITED (GB) 1999-10-21 WO claimed
EP-0691148-A2 A method for separating double stranded DNA from single stranded DNA or RNA THE PERKIN-ELMER CORPORATION (US) 1996-01-10 EP claimed
JP-9104996-A None JP disclosed
US-4079118-A CONTAINING SULFITE SALT CHISSO ENGINEERING CO LTD (JA) 1978-03-14 US disclosed