SCHEMBL7032353

SCHEMBL7032353

Cc1ccc(NC(=O)[C@@H](CCCCN)NC(=O)c2cccc3cc(O)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PYGL P06737 3/20 0.45
HPGDS O60760 1/20 0.42
DEGS1 O15121 1/20 0.41
EHMT2 Q96KQ7 2/20 0.41
F2 P00734 2/20 0.40
KDR P35968 1/20 0.40
KLKB1 P03952 1/20 0.39
PLG P00747 1/20 0.39
PDF Q9HBH1 1/20 0.39
MET P08581 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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 SCHEMBL6290420 0.85 FNTA (0.42) FNTAFNTBPYGLHPGDSDEGS1
Trifluoroacetic Acid SCHEMBL6290412 0.85 FNTA (0.42) FNTAFNTBPYGLHPGDSDEGS1
SCHEMBL7032355 0.74 RAB9A (0.41) NPC1RAB9ADEGS1KDRPLG
SCHEMBL7037682 0.74 CALCRL (0.49)
Trifluoroacetic Acid SCHEMBL6286322 0.74 MCHR1 (0.46) FNTAFNTBNPC1RAB9APYGL
Hydrochloric Acid SCHEMBL7209533 0.71 LNPEP (0.51) PDF
Hydrochloric Acid SCHEMBL6290418 0.70 DHPS (0.45) EHMT2KLKB1PLGPDF
SCHEMBL8716175 0.70 PYGL (0.52) FNTAFNTBPYGL
SCHEMBL8716172 0.70 PYGL (0.52) FNTAFNTBPYGL
SCHEMBL27298381 0.70 HPGDS (0.53) PYGLHPGDS

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
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP disclosed