SCHEMBL30769002

SCHEMBL30769002

COC(OC)C1CCN(c2ccc(C3=C(c4cccc(O)c4)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.46
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ESR2 Q92731 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL20211928 0.94 EBP (0.49) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL29632097 0.94 EBP (0.49) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30768962 0.93 ESR1 (0.52) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30769280 0.91 HRH3 (0.45) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30768653 0.89 ESR1 (0.46) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30769426 0.89 ADRA1D (0.44) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL28963443 0.89 EBP (0.44) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30340457 0.89 EBP (0.44) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30768621 0.89 EBP (0.41) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30769472 0.88 EBP (0.44) ESR1EBPSIGMAR1GRIN1GRIN2B

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