SCHEMBL5747997

SCHEMBL5747997

CC(=O)Sc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
SIRT5 Q9NXA8 1/20 0.42
SIRT1 Q96EB6 3/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40

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
SCHEMBL5747993 0.91 PTGER4 (0.44) PTGER4HDAC4HDAC1HDAC6CTSS
SCHEMBL5652884 0.90 PTGER4 (0.47) PTGER4HDAC4HDAC1HDAC6CTSS
SCHEMBL5653452 0.90 PTGER4 (0.46) PTGER4HDAC4HDAC1HDAC6CTSS
SCHEMBL5654596 0.85 PTGER4 (0.51) PTGER4CTSSCTSLSIRT5SIRT1
SCHEMBL5655260 0.84 PTGER4 (0.45) PTGER4HDAC1HDAC6CTSSCTSL
SCHEMBL5655265 0.84 PTGER4 (0.45) PTGER4HDAC1HDAC6CTSSCTSL
SCHEMBL12193390 0.84 PTGER4 (0.54) PTGER4HDAC1CTSSCTSLSIRT1
SCHEMBL5653800 0.84 PTGER4 (0.46) PTGER4HDAC1CTSSCTSLSIRT5
SCHEMBL5823969 0.82 PTGER4 (0.47) PTGER4CTSSCTSLSIRT1SIRT2
SCHEMBL5653738 0.82 CTSS (0.47) PTGER4CTSSCTSLSIRT5SIRT1

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