SCHEMBL3880987

SCHEMBL3880987

C=CC(=O)OCCOc1ccc(C(C)(C)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.63
HRH3 Q9Y5N1 1/20 0.45
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
PPARA Q07869 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL12039352 0.90 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14173110 0.90 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL137572 0.90 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13588349 0.90 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL12281676 0.86 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13622310 0.86 THRB (0.60) THRBHRH3TSHRALDH1A1TP53
SCHEMBL1618613 0.86 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL16804047 0.86 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL7631129 0.86 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19770675 0.86 THRB (0.60) THRBTSHRHPGDALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030081-A2 OXIME SULFONATES AND THE USE THEROF AS LATENT ACIDS Ciba Holding Inc. (CH) 2009-03-04 EP disclosed
WO-2008068154-A2 CHANGING SURFACE PROPERTIES BY FUNCTIONALIZED NANOPARTICLES CIBA HOLDING INC. (CH) 2008-06-12 WO disclosed
WO-2007147782-A2 OXIME SULFONATES AND THE USE THEROF AS LATENT ACIDS CIBA HOLDING INC. (CH) 2007-12-27 WO disclosed