SCHEMBL30769016

SCHEMBL30769016

COc1ccc2c(c1)CCC(Br)=C2c1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.44
MAOA P21397 6/20 0.44
CYP24A1 Q07973 2/20 0.41
CYP27A1 Q02318 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ESR1 P03372 1/20 0.40
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MIF P14174 1/20 0.38
CYP26A1 O43174 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL30723922 0.94 MAOB (0.50) MAOBMAOACYP24A1CYP27A1HRH3
SCHEMBL30769201 0.86 EBP (0.52) MAOBMAOACYP24A1HRH3ESR1
SCHEMBL23297257 0.84 EBP (0.51) MAOBMAOACYP27A1HRH3ESR1
SCHEMBL30724068 0.82 ESR1 (0.60) MAOBMAOAESR1EBPSIGMAR1
SCHEMBL30768559 0.81 MAOB (0.41) MAOBMAOACYP24A1HRH3ESR1
SCHEMBL30769328 0.80 MPO (0.46) MAOBMAOACYP24A1HRH3BCHE
SCHEMBL30723754 0.78 MAOB (0.48) MAOBMAOACYP24A1HRH3ESR1
SCHEMBL5852029 0.76 MAOB (0.57) MAOBMAOAHRH3ESR1EBP
SCHEMBL30746228 0.75 MAOA (0.36) MAOBMAOAHRH3
SCHEMBL27264109 0.75 MAOA (0.36) MAOBMAOAHRH3

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