SCHEMBL19484398

SCHEMBL19484398

CC[C@H](COc1ccc(C(C)(C)c2cc(Cl)c(OC[C@@H](CCl)OC(C)=O)c(Cl)c2)cc1)OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.66
HTT P42858 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19482643 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482509 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482511 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482505 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482639 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482645 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482506 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482516 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482641 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1
SCHEMBL19482512 0.93 AR (0.62) ARHTTHIF1AKDM4EMEN1

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
WO-2017177307-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-10-19 WO disclosed