SCHEMBL5797231

SCHEMBL5797231

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccccc1)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.77
SIRT5 Q9NXA8 5/20 0.55
SIRT2 Q8IXJ6 9/20 0.53
SIRT1 Q96EB6 8/20 0.53
SIRT3 Q9NTG7 3/20 0.53
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5797447 0.94 PTGER4 (0.71) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5737965 0.93 PTGER4 (0.70) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5669392 0.93 PTGER4 (0.71) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5654479 0.90 PTGER4 (0.65) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5653855 0.90 PTGER4 (0.65) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5651837 0.90 PTGER4 (0.68) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5654843 0.90 PTGER4 (0.77) PTGER4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5654913 0.89 PTGER4 (0.67) PTGER4SIRT5SIRT2SIRT1SIRT3
SCHEMBL5653780 0.89 PTGER4 (0.82) PTGER4NPC1RAB9A
SCHEMBL5654978 0.89 PTGER4 (0.65) PTGER4SIRT5SIRT2SIRT1SIRT3

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
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed