SCHEMBL26762203

SCHEMBL26762203

C=CN(CCC)CCCOc1ccc(C(C)(C)c2cc(C)c(OC[C@H](CCl)OC(C)=O)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.49
▸ ALDH1A1 P00352 7/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 10/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL26762044 0.97 AR (0.51) ARALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26767388 0.90 AR (0.52) ARALDH1A1KDM4ETDP1POLB
SCHEMBL26762172 0.90 AR (0.51) ARALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL26760975 0.87 AR (0.45) ARALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26762242 0.86 AR (0.52) ARALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL26762390 0.86 AR (0.55) ARALDH1A1KDM4ETDP1POLB
SCHEMBL26749535 0.80 AR (0.61) ARALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26750635 0.79 AR (0.60) ARALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26750022 0.79 AR (0.60) ARALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL26762564 0.78 AR (0.56) ARALDH1A1GAAKDM4ESMN1; SMN2

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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