SCHEMBL3348232

SCHEMBL3348232

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC[CH]N1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 11/20 0.51
CA1 P00915 11/20 0.51
CA2 P00918 11/20 0.51
CA9 Q16790 11/20 0.51
TDP1 Q9NUW8 5/20 0.51
MEN1 O00255 1/20 0.49
ABL1 P00519 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
IDE P14735 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
RIN1 Q13671 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CAPN1 P07384 2/20 0.44

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
SCHEMBL14417100 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL6033324 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL12569327 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL4455260 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL18780618 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL179912 0.80 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL29613855 0.80 TDP1 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL3622089 0.79 TDP1 (0.54) CA12CA1CA2CA9TDP1
Biotin SCHEMBL1270216 0.78 TDP1 (0.67) CA12CA1CA2CA9TDP1
Biotin SCHEMBL1023525 0.78 TDP1 (0.67) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036339-A1 SYSTEMS, METHODS AND DEVICES FOR ASSESSING MICROBIOTA OF SKIN ELWHA, LLC (US) 2016-06-29 EP disclosed
WO-2015038960-A1 MIR-133α AS A MARKER AND THERAPEUTIC TARGET FOR COLITIS AND INFLAMMATORY BOWEL DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-19 WO disclosed
WO-2015026973-A1 SYSTEMS, METHODS AND DEVICES FOR ASSESSING MICROBIOTA OF SKIN ELWHA LLC (US) 2015-02-26 WO disclosed
WO-2013098101-A1 DEVICES HAVING A LASER FOR CLOSING OPEN WOUNDS AND FOR PROCESSING TISSUE OF A HUMAN OR ANIMAL BODY TECHNISCHE UNIVERSITÄT ILMENAU (DE) 2013-07-04 WO disclosed
WO-2010039179-A1 ULTRA-SENSITIVE DETECTION OF MOLECULES OR ENZYMES Quanterix Corporation (US) 2010-04-08 WO disclosed
EP-2118273-A1 METHOD FOR MODIFYING CELLS Suomen Punainen Risti, Veripalvelu (FI) 2009-11-18 EP disclosed
WO-2008087256-A1 METHOD FOR MODIFYING CELLS SUOMEN PUNAINEN RISTI, VERIPALVELU (FI) 2008-07-24 WO disclosed
EP-0551438-A4 SURFACE EXPRESSION LIBRARIES OF RANDOMIZED PEPTIDES IXSYS INC (US) 1994-06-08 EP disclosed
EP-0551438-A1 SURFACE EXPRESSION LIBRARIES OF RANDOMIZED PEPTIDES IXSYS, INC. (US) 1993-07-21 EP disclosed
WO-1992006176-A1 SURFACE EXPRESSION LIBRARIES OF RANDOMIZED PEPTIDES IXSYS, INC. (US) 1992-04-16 WO disclosed
EP-0279365-A1 Biotinylating agents HOECHST CELANESE CORPORATION (US) 1988-08-24 EP disclosed