SCHEMBL13625474

SCHEMBL13625474

NC(=O)COCC(=O)Nc1ccc(CCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL13625979 0.86 HPGD (0.46) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL13625413 0.86 ALDH1A1 (0.53) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL13625392 0.86 ALDH1A1 (0.52) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL15074943 0.78 ALDH1A1 (0.45) ALDH1A1HPGDPOLBSMN1; SMN2LMNA
SCHEMBL14297006 0.78 ALDH1A1 (0.45) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL14119120 0.74 SPHK1 (0.40) RAB9ANPC1AOC3
SCHEMBL13625389 0.73 ALDH1A1 (0.45) ALDH1A1HPGDPOLBHDAC3HDAC4
SCHEMBL13046516 0.72 ALDH1A1 (0.54) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL2833160 0.72 AOC3 (0.53) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL27409363 0.72 KMT2A (0.46) ALDH1A1HPGDPOLBHDAC1HDAC6

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
WO-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed