SCHEMBL30768877

SCHEMBL30768877

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.44
ESR2 Q92731 7/20 0.39
HSD17B1 P14061 4/20 0.39
HSD17B10 Q99714 4/20 0.39
SHBG P04278 3/20 0.39
LMNA P02545 3/20 0.39
STS P08842 3/20 0.39
AKR1B10 O60218 2/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 2/20 0.39
SERPINA6 P08185 2/20 0.39
CYP3A4 P08684 2/20 0.39
AR P10275 2/20 0.39
MAPT P10636 2/20 0.39
AKR1B1 P15121 2/20 0.39
SLC6A4 P31645 2/20 0.39
SNCA P37840 2/20 0.39
HTR2B P41595 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39

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
SCHEMBL30769188 1.00 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL27081332 0.91 ESR1 (0.44) ESR1ESR2SLC6A4HTR2BSLC6A3
SCHEMBL27081404 0.91 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL29966501 0.91 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL30769229 0.91 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL30769373 0.90 ESR1 (0.38) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL30768964 0.90 ESR1 (0.38) ESR1ESR2HSD17B1HSD17B10SHBG
SCHEMBL30768954 0.89 ESR1 (0.43) ESR1ESR2SLC6A4HTR2BSLC6A3
SCHEMBL30769044 0.89 ESR1 (0.43) ESR1ESR2SLC6A4HTR2BSLC6A3
SCHEMBL30768538 0.89 ESR1 (0.43) ESR1ESR2SLC6A4HTR2BSLC6A3

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