SCHEMBL9514531

SCHEMBL9514531

O=C(OCc1ccccc1)C(Cc1ccccc1)N1C(=O)COCC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
PKM P14618 1/20 0.57
GAA P10253 2/20 0.47
HSD11B1 P28845 2/20 0.45
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.43
AADAT Q8N5Z0 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
FOLH1 Q04609 1/20 0.40
F10 P00742 1/20 0.40
CTRB1 P17538 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7334247 0.86 ALDH1A1 (0.77) ALDH1A1PKMGAAKMT2ANPSR1
SCHEMBL11338112 0.85 ALDH1A1 (0.62) ALDH1A1PKMGAAHSD11B1NPSR1
SCHEMBL9514909 0.82 MEN1 (0.49) ALDH1A1PKMHSD11B1KMT2ANPSR1
SCHEMBL9518126 0.73 ALDH1A1 (0.50) ALDH1A1PKMGAAKMT2APOLB
SCHEMBL9650037 0.73 ALDH1A1 (0.70) ALDH1A1PKMGAAHSD11B1KMT2A
SCHEMBL2304471 0.73 ALDH1A1 (1.00) ALDH1A1PKMGAAKMT2ANPSR1
SCHEMBL1563867 0.73 ALDH1A1 (1.00) ALDH1A1PKMGAAKMT2ANPSR1
SCHEMBL6386661 0.72 ALDH1A1 (0.90) ALDH1A1PKMGAAKMT2ANPSR1
SCHEMBL15110433 0.70 MEN1 (0.50) ALDH1A1GAAKMT2ANPSR1MEN1
SCHEMBL12027626 0.69 MEN1 (0.52) ALDH1A1KMT2ANPSR1MEN1POLB

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-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed