SCHEMBL522116

SCHEMBL522116

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
FKBP4 Q02790 1/20 0.42
MMP3 P08254 10/20 0.41
MMP1 P03956 3/20 0.41
TRPV1 Q8NER1 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MMP2 P08253 3/20 0.37
PSMB9 P28065 1/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1087550 0.98 TACR1 (0.43) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL1087636 0.90 TACR1 (0.42) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL410223 0.90 FKBP4 (0.54) TACR1FKBP4
SCHEMBL3244930 0.89 ELANE (0.43) TACR1FKBP4TRPV1MMP2ELANE
SCHEMBL7048929 0.88 TACR1 (0.51) TACR1FKBP4MMP3MMP1PSMB9
SCHEMBL3242151 0.86 OPRM1 (0.40) TACR1FKBP4MMP3MMP1HDAC3
Dimethyl Sulfoxide SCHEMBL15323267 0.86 TACR1 (0.43) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL5501048 0.84 TACR1 (0.47) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL5833504 0.84 TACR1 (0.53) TACR1FKBP4
SCHEMBL14050092 0.84 FKBP4 (0.57) TACR1FKBP4MMP3MMP1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137118-A1 Biologically active protein folding intermediates UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2002-09-26 US claimed
US-9862956-B2 Expression and high-throughput screening of complex expressed DNA libraries in filamentous fungi DANISCO US INC. (US) 2018-01-09 US disclosed
US-9644194-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-05-09 US disclosed
US-9574185-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-02-21 US disclosed
US-20170037417-A9 EXPRESSION AND HIGH-THROUGHPUT SCREENING OF COMPLEX EXPRESSED DNA LIBRARIES IN FILAMENTOUS FUNGI DYADIC INTERNATIONAL, INC. (US) 2017-02-09 US disclosed
US-20150211013-A1 EXPRESSION AND HIGH-THROUGHPUT SCREENING OF COMPLEX EXPRESSED DNA LIBRARIES IN FILAMENTOUS FUNGI DYADIC INTERNATIONAL, INC. (US) 2015-07-30 US disclosed
US-8785142-B2 Test arrangement Sigl, Eva (AT) 2014-07-22 US disclosed
US-8680252-B2 Expression and high-throughput screening of complex expressed DNA libraries in filamentous fungi DYADIC INTERNATIONAL (USA), INC. (US) 2014-03-25 US disclosed
US-20140032186-A1 SYSTEMS AND METHODS FOR ANTIBODY ENGINEERING DNA TWOPOINTO, INC. (US) 2014-01-30 US disclosed
US-8635029-B2 Systems and methods for biopolymer engineering DNA TWOPOINTO, INC. (US) 2014-01-21 US disclosed
WO-2004029202-A2 MICROBIAL TRYPSIN VARIANTS HAVING CHYMOTRYPSIN ACTIVITY AND NUCLEIC ACIDS ENCODING SAME NOVOZYMES BIOTECH, INC. (US) 2004-04-08 WO disclosed
EP-0765117-B1 BIOLOGICAL CONTROL OF INSECTS UNIV TROBE (AU) 2004-02-18 EP disclosed
US-20020137118-A1 Biologically active protein folding intermediates UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2002-09-26 US disclosed
CN-1074900-C Biological control of insects UNIV TROBE (AU) 2001-11-21 CN disclosed
US-5985273-A AMINOPEPTIDASE INHIBITORS OR METALLOPEPTIDASE INHIBITORS AND FURTHER COMPRISE A NON-STRONGLY-CHELATING PEPTIDASE INHIBITOR. REED BENJAMIN J (AU) 1999-11-16 US disclosed
EP-0765117-A4 BIOLOGICAL CONTROL OF INSECTS UNIV TROBE (AU) 1998-12-02 EP disclosed
CN-1158551-A Biological control of insects UNIV TROBE (AU) 1997-09-03 CN disclosed
EP-0765117-A1 BIOLOGICAL CONTROL OF INSECTS LA TROBE UNIVERSITY (AU) 1997-04-02 EP disclosed
WO-1996019501-A1 MODULATORS OF BONE CELL FUNCTION AND USES THEREOF OSTEOSA INC. (US) 1996-06-27 WO disclosed
WO-1995035031-A1 BIOLOGICAL CONTROL OF INSECTS LA TROBE UNIVERSITY (AU) 1995-12-28 WO disclosed