SCHEMBL25079397

SCHEMBL25079397

Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCCC=O)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.54
ESR2 Q92731 2/20 0.47
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL25079330 0.96 ESR1 (0.54) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4143432 0.88 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL25079396 0.88 PLA2G2A (0.57) ESR1
SCHEMBL4156648 0.88 ESR1 (0.57) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL25079401 0.87 PLA2G2A (0.55) ESR1
SCHEMBL18150286 0.86 ESR1 (0.68) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL17845182 0.85 ESR1 (0.53) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL18149862 0.85 ESR1 (0.61) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4160287 0.85 ESR1 (0.58) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL25079392 0.85 ESR1 (0.51) ESR1

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
WO-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 WO disclosed
WO-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 WO disclosed