SCHEMBL22468679

SCHEMBL22468679

C[C@H](Cc1cc(Cl)c(O)c(C#N)c1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.51
▸ ESR2 Q92731 14/20 0.51
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MIF P14174 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33

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
SCHEMBL21855360 0.85 ESR1 (0.65) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL21855306 0.81 ESR1 (0.43) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL925617 0.75 ESR1 (0.80) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL22468692 0.74 ADRB3 (0.37) ESR1ESR2ALDH1A1
SCHEMBL14498224 0.72 ESR1 (0.74) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL837133 0.72 HSD17B10 (0.50) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL4649854 0.71 ESR1 (0.67) ESR1ESR2CYP1A2CYP3A4CYP2C9
SCHEMBL21855348 0.70 ESR1 (0.51) ESR1ESR2MIF
SCHEMBL547164 0.70 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL1171038 0.70 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1CYP1A2

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
EP-3946292-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS Essa Pharma, Inc. (CA) 2022-02-09 — — EP disclosed
WO-2020198711-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS ESSA PHARMA, INC. (CA) 2020-10-01 — — WO disclosed
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