SCHEMBL30768599

SCHEMBL30768599

[2H]c1c([2H])c([2H])c(C2=C(c3ccc(N4CCC(C(OC)OC)CC4)cc3)c3ccc(OCc4ccccc4)cc3CC2)c([2H])c1[2H]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR1 P03372 6/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAP4K1 Q92918 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 3/20 0.35
HRH1 P35367 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29632097 0.92 EBP (0.49) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL20211928 0.92 EBP (0.49) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30769280 0.90 HRH3 (0.45) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30768962 0.90 ESR1 (0.52) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30340457 0.89 EBP (0.44) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL28963443 0.89 EBP (0.44) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30769472 0.88 EBP (0.44) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30768653 0.88 ESR1 (0.46) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30769426 0.88 ADRA1D (0.44) EBPSIGMAR1ESR1GRIN1GRIN2B
SCHEMBL30769002 0.88 ESR1 (0.46) EBPSIGMAR1ESR1GRIN1GRIN2B

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