SCHEMBL5797447

SCHEMBL5797447

O=C(NCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1cccc(-c2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.71
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
SIRT2 Q8IXJ6 10/20 0.50
SIRT1 Q96EB6 10/20 0.50
SIRT5 Q9NXA8 3/20 0.50
MGLL Q99685 1/20 0.50
SIRT3 Q9NTG7 5/20 0.48

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
SCHEMBL5653855 0.95 PTGER4 (0.65) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5797231 0.94 PTGER4 (0.77) PTGER4SIRT2SIRT1SIRT5SIRT3
SCHEMBL5653440 0.93 PTGER4 (0.63) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5737965 0.93 PTGER4 (0.70) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5653676 0.92 PTGER4 (0.64) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5669392 0.92 PTGER4 (0.71) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5654479 0.91 PTGER4 (0.65) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5651837 0.89 PTGER4 (0.68) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5652303 0.89 PTGER4 (0.63) PTGER4HDAC3HDAC4HDAC1HDAC7
SCHEMBL5654978 0.88 PTGER4 (0.65) PTGER4HDAC3HDAC4HDAC1HDAC7

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