SCHEMBL30768482

SCHEMBL30768482

O=CC1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3C3CCCCC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.56
ESR2 Q92731 18/20 0.56
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL30768911 0.79 ESR1 (0.43) ESR1ESR2
SCHEMBL30769408 0.79 ESR1 (0.43) ESR1ESR2
SCHEMBL30768538 0.78 ESR1 (0.43) ESR1ESR2
SCHEMBL30768686 0.78 ESR1 (0.43) ESR1ESR2
SCHEMBL30768750 0.78 ESR1 (0.43) ESR1ESR2
SCHEMBL30769247 0.78 ESR1 (0.43) ESR1ESR2
SCHEMBL30769044 0.77 ESR1 (0.43) ESR1ESR2
SCHEMBL30768954 0.77 ESR1 (0.43) ESR1ESR2
SCHEMBL30769175 0.76 ESR1 (0.47) ESR1ESR2CA1CA2CA7
SCHEMBL30769315 0.75 ESR1 (0.47) 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