SCHEMBL10697742

SCHEMBL10697742

C=CC(=O)OC(CCC)(OCCC)OCCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 5/20 0.37
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
THRA P10827 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
SCHEMBL5271167 0.87 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29898193 0.86 TSHR (0.49) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27497291 0.86 TSHR (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27835337 0.83 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11331121 0.78 TSHR (0.46) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3616456 0.77 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9639035 0.77 SMPD1 (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL7625531 0.76 KDM4E (0.46) THRBALDH1A1SMN1; SMN2
SCHEMBL16291088 0.75 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28125584 0.75 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53

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-0280295-A2 A heat-resistant photosensitive resin composition TOKYO OHKA KOGYO CO., LTD. (JP) 1988-08-31 EP disclosed