SCHEMBL30768340

SCHEMBL30768340

C[C@]1(C2CCCCC2)CCc2cc(O)ccc2[C@@H]1c1ccc(N2CCC(C=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.41
ESR2 Q92731 15/20 0.41
HSD17B1 P14061 2/20 0.34
SHBG P04278 2/20 0.34
AKR1B10 O60218 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
CYP3A4 P08684 1/20 0.33
STS P08842 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.33
AKR1B1 P15121 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
SNCA P37840 1/20 0.33
HTR2B P41595 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
SCHEMBL30768443 1.00 ESR1 (0.41) ESR1ESR2HSD17B1SHBGAKR1B10
SCHEMBL30769150 1.00 ESR1 (0.41) ESR1ESR2HSD17B1SHBGAKR1B10
SCHEMBL30768876 1.00 ESR1 (0.41) ESR1ESR2HSD17B1SHBGAKR1B10
SCHEMBL30773586 0.87 ESR1 (0.41) ESR1ESR2HSD17B1SHBGAKR1B10
SCHEMBL30773574 0.87 ESR1 (0.41) ESR1ESR2HSD17B1SHBGAKR1B10
SCHEMBL30768811 0.85 ESR1 (0.47) ESR1ESR2
SCHEMBL30769175 0.85 ESR1 (0.47) ESR1ESR2
SCHEMBL29966359 0.84 ESR1 (0.45) ESR1ESR2
SCHEMBL29092227 0.84 ESR1 (0.47) ESR1ESR2
SCHEMBL29966597 0.84 ESR1 (0.45) ESR1ESR2

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