SCHEMBL3661065

SCHEMBL3661065

CC(=O)C(N=Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
NPC1 O15118 6/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 8/20 0.42
GAA P10253 3/20 0.42
CD69 Q07108 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL5698975 0.84 NPC1 (0.46) NPC1KMT2AMEN1MAPTCA2
SCHEMBL10793988 0.84 CYP1A2 (0.54) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL10152992 0.82 TRPA1 (0.59) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL5699058 0.81 RAB9A (0.56) NPC1KMT2APOLBMEN1MAPT
SCHEMBL1014210 0.79 TRPA1 (0.49) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL1014211 0.79 TRPA1 (0.49) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL5572378 0.79 POLB (0.53) NPC1KMT2APOLBMEN1CA2
SCHEMBL2479591 0.76 CYP1A2 (0.58) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL2479589 0.76 CYP1A2 (0.58) TRPA1NPC1KMT2APOLBMEN1
SCHEMBL5822866 0.75 RAB9A (0.46) TRPA1NPC1POLBMAPTGAA

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-2212273-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2010-08-04 EP disclosed
WO-2009053832-A2 BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2009-04-30 WO disclosed