SCHEMBL9831769

SCHEMBL9831769

O=C(O)CC(O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SOAT1 P35610 1/20 0.47
CTSD P07339 1/20 0.46
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MME P08473 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL9831765 1.00 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9830812 0.79 MME (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9830809 0.79 MME (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20725227 0.77 MME (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16312241 0.77 MME (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7426916 0.76 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13957518 0.71 MME (0.48) POLBMME
SCHEMBL1039530 0.70 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL403874 0.70 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9831235 0.70 HDAC8 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed