SCHEMBL8720308

SCHEMBL8720308

[CH2]CNC(=O)[C@@H](CS)NC(=O)CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL930347 0.85 PTGS1 (0.45) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL929577 0.82 PTGS1 (0.43) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL7594016 0.81 PTGS1 (0.64) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL7594008 0.81 PTGS1 (0.64) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL929445 0.79 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL929533 0.78 PTGS1 (0.40) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL31287971 0.78 PTGS1 (0.54) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL30392676 0.78 PTGS1 (0.61) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29567569 0.78 PTGS1 (0.54) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL22195345 0.78 BMP1 (0.41) PTGS1GSTK1ACEKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759515-A PEPTIDE IS BOUND TO MEDICALLY USEFUL METAL IONS, DIAGNOSTIC IMAGING, OTHER DIAGNOSTIC AND THERAPEUTIC APPLICATIONS RHOMED INCORPORATED (US) 1998-06-02 US disclosed
WO-1995001188-A1 POLYVALENT PEPTIDE PHARMACEUTICAL APPLICATIONS RHOMED INCORPORATED (US) 1995-01-12 WO disclosed