SCHEMBL5001576

SCHEMBL5001576

Cc1cccc(C(=O)C(C(=O)O)=C(OOC(C)(C)c2ccccc2)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.38
PARP1 P09874 1/20 0.37
KCNK3 O14649 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
MAPT P10636 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4733227 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL5007686 0.87 TDP1 (0.45) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL5007690 0.87 TDP1 (0.45) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL4733228 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL4733233 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL4733252 0.73 CCNE2 (0.41) SMN1; SMN2PARP1MAPTALDH1A1TDP1
SCHEMBL4733232 0.72 SMN1; SMN2 (0.36) SMN1; SMN2MAPK1POLBPARP1KCNK3
SCHEMBL8160928 0.71 TDP1 (0.47) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL8160923 0.71 TDP1 (0.47) SMN1; SMN2POLBPARP1KCNK3MEN1
SCHEMBL4732093 0.70 MAPK1 (0.50) SMN1; SMN2MAPK1POLBMEN1KMT2A

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-20080250739-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-10-16 US disclosed