SCHEMBL468592

SCHEMBL468592

C[C@H](NC(=O)[C@H](C)NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 8/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MYOC Q99972 1/20 0.39
HTR1E P28566 2/20 0.39
S1PR3 Q99500 2/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9839725 0.98 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL8330156 0.94 MEN1 (0.39) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL5943202 0.87 SSTR3 (0.45) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL3314831 0.83 TACR1 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL8351160 0.83 MMP1 (0.45) MEN1KMT2AMAPT
SCHEMBL4898719 0.79 TACR1 (0.41) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL3926322 0.78 TACR1 (0.41) LMNASMN1; SMN2HPGD
SCHEMBL1078320 0.76 TACR1 (0.42) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1651305 0.75 KMT2A (0.53) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3513112 0.75 FKBP4 (0.44) SMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073487-A Rapid assay for functional human α1 -proteinase inhibitor ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-12-17 US claimed
EP-0455733-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA 1?-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-11-13 EP claimed
WO-1990008837-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA1-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1990-08-09 WO claimed
CN-106456492-B The purposes of Pigments of Fruit of Japanese Rose compound 三得利控股株式会社 2019-09-24 CN disclosed
WO-2019177982-A1 METHODS AND COMPOSTIONS FOR ALPHA-1 ANTITRYPSIN RELATED DISEASE DISORDERS PROTEASE PHARMACEUTICALS INC. (US) 2019-09-19 WO disclosed
EP-3386596-A1 TOPICAL SKIN CARE COMPOSITIONS COMPRISING MYRSINE AFRICANA EXTRACTS University Of Pretoria (ZA) 2018-10-17 EP disclosed
US-20180092964-A1 LDL QUANTITATION AND METHODS OF USE BRISTOW CYNTHIA L (US) 2018-04-05 US disclosed
US-20180003699-A1 Therapeutic Use for Alpha1 Proteinase Inhibitor in Hematopoiesis THE INSTITUTE FOR HUMAN GENETICS AND BIOCHEMISTRY 2018-01-04 US disclosed
WO-2017098426-A1 TOPICAL SKIN CARE COMPOSITIONS COMPRISING MYRSINE AFRICANA EXTRACTS UNIVERSITY OF PRETORIA (ZA) 2017-06-15 WO disclosed
US-9612233-B2 Therapeutic use for ALPHA1 proteinase inhibitor in hematopoiesis THE INSTITUTE FOR HUMAN GENETICS AND BIOCHEMISTRY (US) 2017-04-04 US disclosed
CN-106456492-A Novel use of rose dye compound 三得利控股株式会社 2017-02-22 CN disclosed
EP-0770876-A1 A screening method for identifying ligands for target proteins SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-05-02 EP disclosed
WO-1995029189-A1 FACTOR Xa INHIBITORS SELECTIDE CORPORATION (US) 1995-11-02 WO disclosed
US-5212068-A Genetic engineering, biosynthesis SANKYO COMPANY LIMITED (JP) 1993-05-18 US disclosed
US-5073487-A Rapid assay for functional human α1 -proteinase inhibitor ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-12-17 US disclosed
EP-0455733-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA 1?-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1991-11-13 EP disclosed
US-4985361-A GENETIC ENGINEERING SANKYO COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0198645-B1 HUMAN PANCREATIC ELASTASE SANKYO COMPANY LIMITED (JP) 1990-11-22 EP disclosed
WO-1990008837-A1 RAPID ASSAY FOR FUNCTIONAL HUMAN ALPHA1-PROTEINASE INHIBITOR ATHENS RESEARCH AND TECHNOLOGY, INC. (US) 1990-08-09 WO disclosed
EP-0198645-A1 Human pancreatic elastase SANKYO COMPANY LIMITED (JP) 1986-10-22 EP disclosed