SCHEMBL7765076

SCHEMBL7765076

O=C(CCC(=O)NCCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.79
HDAC3 O15379 2/20 0.74
HDAC1 Q13547 2/20 0.74
HDAC2 Q92769 2/20 0.74
HDAC10 Q969S8 2/20 0.74
HDAC11 Q96DB2 2/20 0.74
HDAC8 Q9BY41 2/20 0.74
HDAC6 Q9UBN7 2/20 0.74
NCOR2 Q9Y618 2/20 0.74
HDAC4 P56524 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
TAAR1 Q96RJ0 2/20 0.68
ALDH1A1 P00352 1/20 0.65
PLAAT5 Q96KN8 1/20 0.65
PLAAT4 Q9UL19 1/20 0.65
F13A1 P00488 1/20 0.64
CA12 O43570 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
TRPV1 Q8NER1 1/20 0.62

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
SCHEMBL166980 0.94 L3MBTL1 (0.71) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL2186352 0.94 HDAC2 (0.72) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL4074353 0.92 HDAC3 (0.87) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL2808337 0.91 L3MBTL1 (0.67) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL10095127 0.91 L3MBTL1 (0.67) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL13073412 0.90 HDAC3 (0.78) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL3825861 0.90 HDAC3 (0.68) L3MBTL1HDAC3HDAC1HDAC2HDAC10
Fenaclon SCHEMBL2109480 0.89 HDAC3 (0.66) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL1690856 0.89 HPGD (0.71) L3MBTL1HDAC3HDAC1HDAC2HDAC10
SCHEMBL19721599 0.89 HDAC3 (0.66) L3MBTL1HDAC3HDAC1HDAC2HDAC10

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed