SCHEMBL7136804

SCHEMBL7136804

O=C(CCNC(=O)OCc1ccccc1)NCC(=O)C(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL7130614 0.86 LMNA (0.45) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL7136768 0.86 CAPN1 (0.41) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7137508 0.85 LMNA (0.44) HTTKMT2ALMNASMN1; SMN2SLC1A3
SCHEMBL3951175 0.83 HTT (0.56) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7133730 0.82 CTSL (0.43) MEN1KMT2ALMNASMN1; SMN2CASP1
SCHEMBL7133716 0.81 SLC1A3 (0.47) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL7511539 0.81 HTT (0.67) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7130913 0.80 HTT (0.47) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL7134210 0.78 MMP3 (0.51) SMN1; SMN2FOLH1CASP1
SCHEMBL7514786 0.77 HTT (0.73) HTTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US disclosed