SCHEMBL8650694

SCHEMBL8650694

C=CCOC(=O)CC(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CASP1 P29466 3/20 0.31
EPHX2 P34913 1/20 0.31
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6154152 0.86 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL374991 0.83 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL167301 0.83 TDP1 (0.43) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6530496 0.83 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7574669 0.81 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL1907257 0.81 TDP1 (0.42) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL829459 0.81 SMN1; SMN2 (0.43) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL15918858 0.80 TDP1 (0.44) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL180013 0.80 TDP1 (0.44) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL873242 0.80 TDP1 (0.58) TDP1TSHRCYP3A4NPSR1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562819-B1 Resist coating composition JSR CORP (JP) 1999-12-01 EP disclosed
EP-0562819-A2 Resist coating composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-09-29 EP disclosed