SCHEMBL10340366

SCHEMBL10340366

C[C@H](N)C(=O)Oc1ccc(C(=O)[C@@H](N)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.45
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
LTA4H P09960 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
ESR1 P03372 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9705936 1.00 ELANE (0.45) ELANES1PR1S1PR3PRSS1TMPRSS15
SCHEMBL7870131 0.82 ELANE (0.55) ELANEPRSS1KMT2APARP10ALDH1A1
SCHEMBL8681157 0.82 ELANE (0.55) ELANEPRSS1KMT2APARP10ALDH1A1
SCHEMBL27382099 0.81 ELANE (0.39) ELANES1PR1S1PR3PRSS1TMPRSS15
SCHEMBL364405 0.79 KMT2A (0.56) ELANEKMT2APARP10MAPK1ALDH1A1
SCHEMBL23493150 0.79 ELANE (0.55) ELANEKMT2APARP10ALDH1A1CYP1A2
SCHEMBL15679080 0.79 ELANE (0.55) ELANEKMT2APARP10ALDH1A1CYP1A2
SCHEMBL29066978 0.78 SLC7A5 (0.48) ELANEESR1
Hydrochloric Acid SCHEMBL30184762 0.77 ELANE (0.53) ELANEKMT2APARP10ALDH1A1CYP1A2
SCHEMBL1061790 0.76 ELANE (0.55) ELANEKMT2APARP10SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
CN-109054378-A The antimicrobial acivity of biocide is improved with polymer 巴斯夫欧洲公司 2018-12-21 CN disclosed
CN-104245781-B Enhancing antimicrobial activity of biocides with polymers 巴斯夫欧洲公司 2018-09-21 CN disclosed
CN-107281441-A Preparation of one seed ginseng stilbene tonifying liver stomach invigorating invigorating the spleen and preparation method thereof 江苏黄河药业股份有限公司 2017-10-24 CN disclosed
CN-106616145-A Millettia speciosa drink 孔令娇 2017-05-10 CN disclosed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN disclosed
CN-106472930-A A kind of Millettia speciosa champ health care beverage 孔令娇 2017-03-08 CN disclosed
CN-106367287-A Novel beautiful millettia root health-care beverage 孔令娇 2017-02-01 CN disclosed
CN-106261425-A A kind of novel Millettia speciosa champ health care beverage 孔令娇 2017-01-04 CN disclosed
CN-105530909-A Compositions and methods for dental mineralization UNIV MELBOURNE 2016-04-27 CN disclosed
CN-105307514-A Plant extract containing diketopiperazine and method for producing same SUNTORY HOLDINGS LTD 2016-02-03 CN disclosed
CN-103097516-B Eukaryotic cell substratum FRIESLAND BRANDS B.V. (NL) 2015-09-09 CN disclosed
EP-0220028-B1 PROCESS FOR PRODUCING L-ASPARTYL-L-PHENYLALANINE AND ITS DIKETOPIPERAZINE AJINOMOTO CO., INC. (JP) 1990-02-07 EP disclosed
EP-0220028-A2 Process for producing L-aspartyl-L-phenylalanine and its diketopiperazine AJINOMOTO CO., INC. (JP) 1987-04-29 EP disclosed