SCHEMBL7110758

SCHEMBL7110758

C=CC(=O)OCC(C)(C)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD11B1 P28845 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 2/20 0.32
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
TSHR P16473 3/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DPP4 P27487 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
SCHEMBL27903693 0.87 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2389107 0.86 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1028437 0.80 PKM (0.33) ALDH1A1HSD11B1MDH1MDH2PKM
SCHEMBL7130128 0.78 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL5411822 0.76 HSD11B1 (0.35) ALDH1A1HSD11B1NPSR1TSHRABL1
SCHEMBL6744403 0.76 HSD11B1 (0.32) HSD11B1PKML3MBTL1DPP4
SCHEMBL6560066 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4HSD11B1THRBTSHR
SCHEMBL27825955 0.74 THRB (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27825952 0.72 TSHR (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL14916295 0.71 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2THRBPKML3MBTL1

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-1354897-B1 POLYMER FOR PHOTORESIST AND RESIN COMPOSITIONS THEREFOR DAICEL CHEM (JP) 2012-10-24 EP disclosed
EP-1354897-A1 POLYMER FOR PHOTORESIST AND RESIN COMPOSITIONS THEREFOR Daicel Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed