SCHEMBL17490667

SCHEMBL17490667

COCc1ccc2ccc(CC(=O)OC)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL21620954 0.86 ALDH1A1 (0.61) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL11467655 0.85 ALDH1A1 (0.53) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL11469397 0.83 ALDH1A1 (0.51) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL31170867 0.83 MEN1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL26690016 0.83 SLC7A5 (0.59) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL2662328 0.83 MEN1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11458930 0.82 GAA (0.50) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL11460900 0.82 PTGS1 (0.69) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL11463930 0.82 ALDH1A1 (0.50) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL18716081 0.82 LMNA (0.49) LMNATP53PTGS1AKR1C3AKR1C2

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-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed