SCHEMBL30768964

SCHEMBL30768964

CC1(C)CC([C@@H]2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CCC(C=O)CC3)cc2)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.38
ESR2 Q92731 8/20 0.38
HSD17B10 Q99714 3/20 0.36
HSD17B1 P14061 2/20 0.36
SHBG P04278 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
STS P08842 2/20 0.36
HIF1A Q16665 2/20 0.36
AKR1B10 O60218 1/20 0.36
PGR P06401 1/20 0.36
SERPINA6 P08185 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36
AKR1B1 P15121 1/20 0.36
NFKB1 P19838 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL30769373 1.00 ESR1 (0.38) ESR1ESR2HSD17B10HSD17B1SHBG
SCHEMBL30768877 0.90 ESR1 (0.44) ESR1ESR2HSD17B10HSD17B1SHBG
SCHEMBL30769188 0.90 ESR1 (0.44) ESR1ESR2HSD17B10HSD17B1SHBG
SCHEMBL27081332 0.89 ESR1 (0.44) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30769044 0.87 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30768954 0.87 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30768538 0.86 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30768750 0.86 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30769247 0.86 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B
SCHEMBL30768686 0.86 ESR1 (0.43) ESR1ESR2CYP19A1SLC6A4HTR2B

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-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed