SCHEMBL7790449

SCHEMBL7790449

NCC(=O)NCC(=O)NC(CS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 1/20 0.44
PTGS1 P23219 2/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
FOLH1 Q04609 1/20 0.42
TERT O14746 1/20 0.39
FNTA P49354 4/20 0.38
FNTB P49356 4/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
AOC3 Q16853 2/20 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
SCHEMBL7790453 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL30729587 0.98 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29595904 0.98 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6447452 0.98 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6447460 0.98 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28767090 0.98 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29567393 0.92 PTGS1 (0.51) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29865388 0.92 ACE (0.46) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29567345 0.92 PTGS1 (0.51) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29473501 0.89 ACE (0.44) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088206-B1 Induction of the mitochondrial permeability transition NEWSOUTH INNOVATIONS PTY LTD (AU) 2013-07-03 EP disclosed
EP-0750610-B1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS DIATIDE INC (US) 2001-12-12 EP disclosed
US-6248304-B1 PIPERIDINE COMPOUND BERLEX LABORATORIES, INC. 2001-06-19 US disclosed
EP-0750610-A1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS Diatide, Inc. (US) 1997-01-02 EP disclosed
WO-1995025720-A1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS DIATECH, INC. (US) 1995-09-28 WO disclosed