SCHEMBL16181798

SCHEMBL16181798

C=CC(=O)OC(CC)(CC)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
THRA P10827 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL12941446 0.88 TSHR (0.32) THRBTSHR
SCHEMBL8408097 0.81 THRB (0.35) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL14024257 0.81 TSHR (0.32) TSHRHPGD
SCHEMBL76441 0.80 THRB (0.35) THRBTSHRHPGDALDH1A1TP53
SCHEMBL10281408 0.78 GAA (0.33) ALDH1A1FKBP1A
SCHEMBL14839294 0.77 FKBP1A (0.32) FKBP1A
SCHEMBL16338051 0.77 THRA (0.33) THRBTSHRTHRA
SCHEMBL10237134 0.77 EPHX1 (0.34) THRBALDH1A1NPSR1FKBP1A
SCHEMBL9610295 0.77 THRA (0.33) THRBTSHRTHRA
SCHEMBL15294721 0.77 CHRM2 (0.33) ALDH1A1FKBP1A

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-1403295-B1 Ester compounds, polymers, resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2014-10-22 EP disclosed