SCHEMBL6287743

SCHEMBL6287743

NCCCC[C@@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3ccccc3O)cc2)c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3ccccc3OC(=O)C(F)(F)F)cc2)cc1)C(=O)c1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 2/20 0.30
KLK1 P06870 1/20 0.30
KLK5 Q9Y337 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PNLIP P16233 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL7039294 0.88 KLK1 (0.39) KDM4EHPGDMAPTSMN1; SMN2MEN1
SCHEMBL6286413 0.82 MEN1 (0.31) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL6290435 0.78 EGFR (0.34) KLK1
SCHEMBL6290421 0.78 EGFR (0.34) KLK1
Trifluoroacetic Acid SCHEMBL6287794 0.77 MLYCD (0.37) MEN1LMNARAB9AKMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL6290918 0.77 MLYCD (0.37) MEN1LMNARAB9AKMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL6286326 0.77 NR1H4 (0.37) MEN1RAB9AKMT2AKLK1KLK5
SCHEMBL6287650 0.74 CA1 (0.43) MAPTLMNANPSR1
Trifluoroacetic Acid SCHEMBL6287884 0.73 KEAP1 (0.37) KDM4EHPGDMAPTMEN1RAB9A
Trifluoroacetic Acid SCHEMBL7038495 0.73 TP53 (0.35) KDM4EHTTRAB9AKLK1KLK5

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