SCHEMBL5007690

SCHEMBL5007690

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 3/20 0.38
CYP2C19 P33261 1/20 0.37
KCNK3 O14649 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
KCNH2 Q12809 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ABCB1 P08183 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL5007686 1.00 TDP1 (0.45) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL4733227 0.87 SMN1; SMN2 (0.40) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL5001576 0.87 SMN1; SMN2 (0.40) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL8160928 0.83 TDP1 (0.47) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL8160923 0.83 TDP1 (0.47) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL4733252 0.77 CCNE2 (0.41) TDP1ALDH1A1PARP1SMN1; SMN2CYP2C19
SCHEMBL23037380 0.76 TDP1 (0.66) TDP1ALDH1A1TSHRHSD17B10PARP1
SCHEMBL29922789 0.72 PARP1 (0.61) TDP1ALDH1A1PARP1SMN1; SMN2HDAC8
SCHEMBL2060236 0.72 PARP1 (0.61) TDP1ALDH1A1PARP1SMN1; SMN2HDAC8
SCHEMBL3399705 0.71 HDAC8 (0.54) TDP1ALDH1A1TSHRHSD17B10SMN1; SMN2

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