SCHEMBL29448092

SCHEMBL29448092

CC(C)(c1ccc(O)cc1)c1cc(Cl)c(O)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.48
▸ ESR1 P03372 6/20 0.48
▸ ESR2 Q92731 6/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ ESRRG P62508 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SLC22A12 Q96S37 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
SCHEMBL22468693 1.00 AR (0.48) ARESR1ESR2CYP3A4HPGD
SCHEMBL26817473 0.85 AR (0.47) ARESR1ESR2CYP3A4HPGD
SCHEMBL2868335 0.84 ESR1 (0.64) ARESR1ESR2CYP3A4HPGD
SCHEMBL29579789 0.83 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL24481071 0.83 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL29580291 0.81 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL24480897 0.81 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL30103248 0.81 ESR2 (0.41) ARESR1ESR2CYP3A4HPGD
SCHEMBL24743933 0.81 ESR2 (0.41) ARESR1ESR2CYP3A4HPGD
SCHEMBL11161885 0.80 AR (0.45) ARCYP3A4TSHRHSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056423-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS BIFUNCTIONAL DEGRADERS ESSA PHARMA, INC. (CA) 2023-04-06 — — WO disclosed
WO-2022226349-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2022-10-27 — — WO disclosed
EP-3946292-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR USE AS PROTEOLYSIS TARGETING CHIMERA LIGANDS Essa Pharma, Inc. (CA) 2022-02-09 — — EP disclosed
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