SCHEMBL6287947

SCHEMBL6287947

CC(=O)[C@](N)(CCCCN)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@](N)(CCCCN)C(C)=O)cc2)c2ccc(NC(=O)[C@@](N)(CCCCN)C(C)=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
KIF11 P52732 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LTA4H P09960 1/20 0.31
PLG P00747 2/20 0.31

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
SCHEMBL7208629 0.87 L3MBTL1 (0.35) L3MBTL1TSHRMEN1KMT2ATDP1
SCHEMBL7210568 0.87 L3MBTL1 (0.35) L3MBTL1TSHRMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6290966 0.86 L3MBTL1 (0.32) L3MBTL1TSHRMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6291011 0.85 LTA4H (0.33) L3MBTL1S1PR1S1PR3CA1CA2
Hydrochloric Acid SCHEMBL6287860 0.85 LTA4H (0.33) L3MBTL1S1PR1S1PR3CA1CA2
Hydrochloric Acid SCHEMBL6285978 0.84 S1PR1 (0.33) L3MBTL1S1PR1S1PR3CA1CA2
Hydrochloric Acid SCHEMBL6287983 0.82 PAOX (0.38) S1PR1S1PR3CA1CA2SMN1; SMN2
Hydrochloric Acid SCHEMBL6285434 0.80 PLG (0.35) NPC1RAB9APLGKLK1KLK6
SCHEMBL6287968 0.79 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATDP1S1PR1
Trifluoroacetic Acid SCHEMBL6287794 0.79 MLYCD (0.37) MEN1KMT2ANPC1RAB9ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed