SCHEMBL5752121

SCHEMBL5752121

CC(Cc1ccccc1NC(=O)[C@H](CCCNC(=O)OCc1cccnc1)NC(=O)c1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
PTGER4 P35408 5/20 0.44
HDAC4 P56524 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CTSL P07711 3/20 0.40
CTSB P07858 3/20 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
SCHEMBL5651596 0.88 HDAC1 (0.47) HDAC1PTGER4HDAC4HDAC6HDAC3
SCHEMBL5653169 0.86 HDAC1 (0.47) HDAC1PTGER4HDAC4HDAC6HDAC3
SCHEMBL5655045 0.83 PTGER4 (0.52) HDAC1PTGER4HDAC4HDAC6
SCHEMBL5801097 0.82 ANPEP (0.52) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL5654879 0.81 HDAC1 (0.49) HDAC1PTGER4HDAC4HDAC6
SCHEMBL5652247 0.80 HDAC1 (0.49) HDAC1PTGER4HDAC4HDAC6
SCHEMBL5651859 0.80 HDAC1 (0.47) HDAC1PTGER4HDAC4HDAC6
SCHEMBL5653483 0.80 HDAC1 (0.47) HDAC1PTGER4HDAC4HDAC6
SCHEMBL5654516 0.80 HDAC1 (0.47) HDAC1PTGER4HDAC6
SCHEMBL5654551 0.79 HDAC1 (0.47) HDAC1PTGER4

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