SCHEMBL26762242

SCHEMBL26762242

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.52
▸ HTT P42858 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KCNH2 Q12809 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABCB1 P08183 1/20 0.31

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
SCHEMBL26762172 0.97 AR (0.51) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26762044 0.89 AR (0.51) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26762564 0.89 AR (0.56) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26762203 0.86 AR (0.49) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL26760901 0.86 HTT (0.47) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482512 0.85 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482516 0.85 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482510 0.85 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482511 0.85 AR (0.62) ARHTTHIF1AALDH1A1KDM4E
SCHEMBL19482513 0.85 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
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