SCHEMBL9748222

SCHEMBL9748222

C/C=C(\NC(=O)CCC)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSD P07339 1/20 0.44

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
SCHEMBL9748236 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9748225 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9748295 0.87 MAPT (0.47)
SCHEMBL9748283 0.87 MAPT (0.47)
SCHEMBL9748286 0.87 MAPT (0.47)
SCHEMBL9748930 0.85 HSP90AA1 (0.50)
SCHEMBL9748933 0.85 HSP90AA1 (0.50)
SCHEMBL9748938 0.85 HSP90AA1 (0.50)
SCHEMBL9748235 0.84 HSP90AA1 (0.53)
SCHEMBL11166892 0.84 HSP90AA1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668504-A Use of substituted propenoates to prevent nephrotoxicity of certain antibiotics MERCK & CO., INC. (US) 1987-05-26 US claimed
US-5147868-A For selectively inhibiting the metabolism of dipeptidase; useful in mixtures with bactericides MERCK & CO., INC. (US) 1992-09-15 US disclosed
US-5071843-A Thienamycin antibiotics with delayed metabolism MERCK & CO., INC. (US) 1991-12-10 US disclosed
EP-0161546-B1 COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1989-12-13 EP disclosed
US-4880793-A BACTERICIDES, UNSATURATED CARBOXYLIC ACID, AMIDES MERCK & CO., INC. (US) 1989-11-14 US disclosed
US-4668504-A Use of substituted propenoates to prevent nephrotoxicity of certain antibiotics MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4616038-A BACTERICIDES MERCK & CO., INC. (US) 1986-10-07 US disclosed
EP-0161546-A1 Combination of 2-substituted carbapenems with dipeptidase inhibitors MERCK & CO. INC. (US) 1985-11-21 EP disclosed
US-4539208-A Combination of thienamycin-type antibiotics with dipeptidase inhibitors MERCK & CO., INC. (US) 1985-09-03 US disclosed
EP-0010573-B1 NOVEL Z-2-ACYLAMINO-3-MONOSUBSTITUTED PROPENIC ACIDS AND THEIR ESTERS AND SALTS, AND PROCESSES FOR PREPARING THEM MERCK & CO. INC. (US) 1983-10-19 EP disclosed
EP-0072014-A1 Combination of 2-substituted penems with dipeptidase inhibitors MERCK & CO. INC. (US) 1983-02-16 EP disclosed
EP-0028778-A1 Antibacterial compositions comprising a beta-lactam-type compound and a 3-substituted propenoate MERCK & CO. INC. (US) 1981-05-20 EP disclosed
EP-0010573-A1 Novel Z-2-acylamino-3-monosubstituted propenic acids and their esters and salts, and processes for preparing them MERCK & CO. INC. (US) 1980-05-14 EP disclosed
EP-0007614-A1 An antibacterial composition of thienamycin-type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1980-02-06 EP disclosed