SCHEMBL7330429

SCHEMBL7330429

O=C(CCCCCN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC8 Q9BY41 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.51
ACHE P22303 4/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 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
SCHEMBL7326127 0.99 L3MBTL1 (0.54) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL10725421 0.87 L3MBTL1 (0.59) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL6789754 0.85 ALDH1A1 (0.57) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL9329980 0.81 TDP1 (0.52) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL20023143 0.80 HTT (0.58) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL607631 0.80 HDAC8 (0.69) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL3468927 0.80 HDAC8 (0.69) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL9899475 0.80 HDAC8 (0.69) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL9350109 0.80 HDAC8 (0.69) L3MBTL1TDP1HDAC8HDAC3HDAC4
SCHEMBL4202491 0.80 HDAC8 (0.69) L3MBTL1TDP1HDAC8HDAC3HDAC4

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
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed