SCHEMBL8776944

SCHEMBL8776944

CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.54
ESR1 P03372 3/20 0.54
ELANE P08246 2/20 0.50
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MCL1 Q07820 1/20 0.42
PTPN5 P54829 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
UQCRB P14927 1/20 0.40

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
SCHEMBL26268 0.85 PKM (0.65) ELANEGAAPKMPOLBKMT2A
SCHEMBL12541779 0.84 ESR1 (0.53) ESR2ESR1ALDH1A1CYP3A4PTPN5
SCHEMBL24513216 0.82 HTT (0.51) HSD11B1ALDH1A1PTPN5CNR2HTT
SCHEMBL4613497 0.81 HTR6 (0.54) GAAPKMALDH1A1CNR2POLB
SCHEMBL17146887 0.79 NR1H4 (0.50) ELANEGAAPKMHSD11B1ALDH1A1
SCHEMBL18630499 0.79 ESR2 (0.59) ESR2ESR1ELANEGAAPKM
SCHEMBL4734126 0.78 MMP2 (0.46) ESR1ELANEGAAPKMHSD11B1
SCHEMBL25529698 0.78 ELANE (0.44) ESR2ESR1ELANEGAAPKM
SCHEMBL537032 0.77 GAA (0.54) ELANEGAAPKMALDH1A1KMT2A
SCHEMBL14942091 0.77 GAA (0.54) ESR1ELANEGAAPKMHTT

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-0665119-B1 Thermochromic colour-memory composition PILOT INK CO LTD (JP) 1997-12-03 EP disclosed
EP-0665119-A1 Thermochromic colour-memory composition THE PILOT INK CO., LTD. (JP) 1995-08-02 EP disclosed