SCHEMBL10397276

SCHEMBL10397276

COC(=O)c1ccc(O)c(Sc2cc(C(=O)OC)ccc2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 1.00
MAPT P10636 7/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 6/20 1.00
LMNA P02545 5/20 1.00
HSD17B10 Q99714 5/20 1.00
ALOX15 P16050 4/20 1.00
TP53 P04637 3/20 1.00
ALOX12 P18054 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
HTT P42858 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
CA12 O43570 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
XDH P47989 2/20 0.67

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
SCHEMBL9667921 0.87 KDM4E (0.77) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL10644145 0.84 HPGD (0.71) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL19810678 0.82 ALDH1A1 (0.68) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL10397300 0.81 CA12 (0.70) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL10398469 0.81 CA12 (0.70) HPGDMAPTKDM4EALDH1A1LMNA
Methyl Protocatechuate SCHEMBL38624 0.80 CA1 (1.00) HPGDMAPTKDM4EALDH1A1LMNA
Methyl Protocatechuate SCHEMBL29360855 0.80 CA1 (1.00) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL24412 0.79 CA12 (0.69) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL29357340 0.79 CA12 (0.69) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL10398250 0.78 KDM4E (0.64) HPGDMAPTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965395-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-23 US disclosed
EP-0224592-B1 P-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-11-15 EP disclosed
EP-0224592-A1 p-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-06-10 EP disclosed
US-4287366-A BY OXIDATION OF THE CORRESPONDING SULFIDE OR SULFOXIDE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF AN ALKALI METAL HYDROXIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1981-09-01 US disclosed
US-4275240-A OXIDATION OF 2,2'-BISPHENOL SULFIDES IN A SOLVENT MITSUI TOATSU CHEMICALS, INC. (JP) 1981-06-23 US disclosed