SCHEMBL22777983

SCHEMBL22777983

COc1cc(-c2cccc(O)c2OC)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
FYN P06241 5/20 0.51
CHEK2 O96017 1/20 0.51
CHEK1 O14757 2/20 0.50
POLB P06746 1/20 0.50
PGR P06401 1/20 0.50
AR P10275 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
ABL1 P00519 1/20 0.50
PIM1 P11309 1/20 0.50
LTK P29376 1/20 0.50
MAPK8 P45983 1/20 0.50
CDK8 P49336 1/20 0.50

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
SCHEMBL22381396 0.84 PGR (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22020755 0.81 ERN1 (0.56) FYNCHEK2CHEK1POLBTGFBR1
SCHEMBL27625890 0.80 ERN1 (0.57) FYNCHEK2CHEK1POLBPGR
SCHEMBL28036688 0.79 CA1 (0.43) FYNCHEK2ABL1APPTGFBR1
SCHEMBL16581413 0.78 POLB (0.59) FYNCHEK1POLBAPPGAA
SCHEMBL21815270 0.78 CA1 (0.55) FYNPIM1MAOBCA1CA2
SCHEMBL3693339 0.78 MAOB (0.67) FYNPOLBGAAMAOBCA2
SCHEMBL10893692 0.78 MCL1 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL526920 0.77 ALDH1A1 (0.56) ABL1CA1CA2TP53TSHR
SCHEMBL29431716 0.77 ALDH1A1 (0.56) ABL1CA1CA2TP53TSHR

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
WO-2020252217-A1 BIO-BASED POLYSULFONES AND USES THEREOF EPPS THOMAS H III (US) 2020-12-17 WO claimed
WO-2020252217-A1 BIO-BASED POLYSULFONES AND USES THEREOF EPPS THOMAS H III (US) 2020-12-17 WO disclosed