SCHEMBL10243291

SCHEMBL10243291

C=C(C)C(=O)OC(CC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL10204588 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL721450 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL13559180 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL5935073 0.81 TSHR (0.49) ALDH1A1TSHRTHRBCA1CA2
SCHEMBL28142283 0.81 GAA (0.44) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL4642191 0.80 TSHR (0.41) ALDH1A1TSHRTHRBSMN1; SMN2
SCHEMBL7395531 0.79 CA1 (0.41) ALDH1A1TSHRCA1CA2MGAM
SCHEMBL27527491 0.79 ALDH1A1 (0.40) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL15868619 0.79 TSHR (0.54) ALDH1A1TSHRTHRBCA1CA2
SCHEMBL3987348 0.78 TSHR (0.39) ALDH1A1TSHRTHRBCA1CA2

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
EP-2450746-A1 Positive resist composition and pattern forming method using the composition Fujifilm Corporation (JP) 2012-05-09 EP disclosed