SCHEMBL26762564

SCHEMBL26762564

CCCN(CCC)CC(O)COc1ccc(C(C)(C)c2cc(Cl)c(OCC(CCl)OC(C)=O)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.56
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL26762242 0.89 AR (0.52) ARHTTHIF1AALDH1A1KCNH2
SCHEMBL19482510 0.89 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482513 0.89 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482516 0.89 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482511 0.89 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482512 0.89 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26762390 0.89 AR (0.55) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26761198 0.88 AR (0.56) ARHTTHIF1AALDH1A1KCNH2
SCHEMBL19459775 0.87 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19460290 0.87 AR (0.62) ARHTTHIF1AALDH1A1KDM4E

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-3442942-B1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2023-11-15 — — EP disclosed
Send feedback