SCHEMBL30768627

SCHEMBL30768627

COC(OC)C1CCN(c2ccc(C3=C(c4cccc5c4CCC5)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.42
GYS1 P13807 1/20 0.42
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
GPR84 Q9NQS5 1/20 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
CYP2D6 P10635 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL30768439 0.98 GRIN1 (0.41) ESR1GYS1EBPSIGMAR1MAOA
SCHEMBL30769116 0.96 EBP (0.40) ESR1GYS1EBPSIGMAR1MAOA
SCHEMBL30768653 0.89 ESR1 (0.46) ESR1EBPSIGMAR1MAOAMAOB
SCHEMBL20211928 0.88 EBP (0.49) ESR1EBPSIGMAR1MAOAMAOB
SCHEMBL29632097 0.88 EBP (0.49) ESR1EBPSIGMAR1MAOAMAOB
SCHEMBL30769426 0.87 ADRA1D (0.44) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30768962 0.86 ESR1 (0.52) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30769280 0.86 HRH3 (0.45) ESR1EBPSIGMAR1MAOAMAOB
SCHEMBL30769002 0.85 ESR1 (0.46) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL28963443 0.85 EBP (0.44) ESR1EBPSIGMAR1MAOAMAOB

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