SCHEMBL13625392

SCHEMBL13625392

O=CCCc1ccc(NC(=O)COCC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK7 P49862 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL13625413 0.86 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL13625474 0.86 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL13625389 0.86 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL13471919 0.79 POLB (0.61) ALDH1A1HPGDLMNAPOLBMEN1
SCHEMBL15074943 0.78 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL14297006 0.78 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL13471912 0.76 POLB (0.44) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL2833160 0.74 AOC3 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL22876772 0.74 POLB (0.44) ALDH1A1HPGDSMN1; SMN2POLBRAB9A
SCHEMBL13625979 0.73 HPGD (0.46) ALDH1A1HPGDLMNAPOLBMEN1

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