SCHEMBL153107

SCHEMBL153107

CCCCCCCCCCC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MGLL Q99685 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ASAH2 Q9NR71 1/20 0.46
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM4 Q14833 1/20 0.42
GAA P10253 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
SCHEMBL2945402 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL2944802 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL2952788 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL153579 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL154514 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL2942292 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL6147749 0.99 AKR1C3 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
Isopropyl Alcohol SCHEMBL28378911 0.96 ASAH2 (0.46) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL1400169 0.94 AKR1C3 (0.48) ALDH1A1MGLLAKR1C3AKR1C2MAPT
SCHEMBL8669550 0.94 ALDH1A1 (0.45) ALDH1A1MGLLAKR1C3AKR1C2ASAH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111139229-B Novel GDSL family lipid hydrolase EII-2 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-05-16 CN claimed
CN-111019921-B High-tolerance lipid hydrolase E93 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-04-28 CN claimed
US-8623996-B2 Cold active enzyme and method thereof UNIVERSITY PUTRA MALAYSIA (MY) 2014-01-07 US claimed
US-20120058514-A1 COLD ACTIVE ENZYME AND METHOD THEREOF UNIVERSITY PUTRA MALAYSIA (MY) 2012-03-08 US claimed
CN-118272342-A Lipase LUCA based on ancestral sequence reconstruction and application thereof 山东师范大学 2024-07-02 CN disclosed
CN-116814589-A Thermokalite-stable ester bond hydrolase and application of mixed enzyme preparation containing same in degradation of PET (polyethylene terephthalate) products 南京师范大学 2023-09-29 CN disclosed
CN-112430610-B Low-temperature esterase functional gene DcaE and application thereof 中国农业科学院生物技术研究所 2023-06-27 CN disclosed
CN-111139229-B Novel GDSL family lipid hydrolase EII-2 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-05-16 CN disclosed
CN-111019921-B High-tolerance lipid hydrolase E93 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-04-28 CN disclosed
CN-111057691-B Novel GDSL family lipid hydrolase EII-3 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-04-28 CN disclosed
CN-115975983-A Application of alkali-resistant broad-spectrum plastic degrading enzyme 北京理工大学 2023-04-18 CN disclosed
CN-115838704-A Lipase mutant and application thereof 中国海洋大学 2023-03-24 CN disclosed
EP-0233656-B1 MICROBIAL ESTERASE AND PROCESS FOR THE PREPARATION OF 2-ARYLPROPIONIC ACIDS GIST-BROCADES N.V. (NL) 1992-07-08 EP disclosed
EP-0191217-B2 PROCESS FOR PRODUCING GLYCERIDES IN THE PRESENCE OF LIPASES AMANO PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP disclosed
WO-1991003563-A1 METHOD OF PREPARATION OF MONOGLYCERIDES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-03-21 WO disclosed
US-4933287-A FROM PSEUDOMONAS PSEUDOALCALIGENES OR STUTZERI GIST-BROCADES N.V. (NL) 1990-06-12 US disclosed
EP-0191217-B1 PROCESS FOR PRODUCING GLYCERIDES IN THE PRESENCE OF LIPASES AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-03-16 EP disclosed
WO-1987000859-A1 NOVEL LIPOLYTIC ENZYMES AND THEIR USE IN DETERGENT COMPOSITIONS GIST-BROCADES N.V. (NL) 1987-02-12 WO disclosed
EP-0191217-A1 Process for producing glycerides in the presence of lipases AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 EP disclosed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US disclosed