SCHEMBL7196450

SCHEMBL7196450

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 12/20 0.36
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL28834303 0.94 TDP1 (0.43) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL2446951 0.81 TDP1 (0.40) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL7196449 0.80 TDP1 (0.44) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL5368563 0.79 TDP1 (0.43) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL5368556 0.78 TDP1 (0.40) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL11298080 0.78 TDP1 (0.40) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL829459 0.77 SMN1; SMN2 (0.43) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL16574651 0.76 TDP1 (0.49) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL12477531 0.76 TDP1 (0.41) TDP1TSHRPKMSMN1; SMN2CASP1
SCHEMBL2201794 0.76 GRIK1 (0.47) TDP1TSHRPKMSMN1; SMN2MAPT

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-2003010566-A2 PLASTIC LENS MATERIAL, PLASTIC LENS COMPOSITION, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed