SCHEMBL30769201

SCHEMBL30769201

COc1ccc2c(c1)CCC(c1ccccc1)=C2c1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ESR1 P03372 8/20 0.51
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
FFAR1 O14842 5/20 0.41
PPARD Q03181 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP24A1 Q07973 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
SCHEMBL30724068 0.94 ESR1 (0.60) EBPSIGMAR1ESR1MAOBMAOA
SCHEMBL30769016 0.86 MAOB (0.44) EBPSIGMAR1ESR1MAOBMAOA
SCHEMBL7174574 0.86 EBP (0.67) EBPSIGMAR1ESR1MAOBMAOA
SCHEMBL30768823 0.86 ESR1 (0.61) EBPSIGMAR1ESR1CYP24A1
SCHEMBL30768559 0.86 MAOB (0.41) EBPSIGMAR1ESR1MAOBMAOA
SCHEMBL30723922 0.82 MAOB (0.50) ESR1MAOBMAOAHRH3CYP24A1
SCHEMBL30768850 0.81 ESR1 (0.48) EBPSIGMAR1ESR1CYP24A1
SCHEMBL30769328 0.79 MPO (0.46) MAOBMAOAFFAR1HRH3CYP24A1
SCHEMBL11821605 0.78 ESR1 (0.72) EBPSIGMAR1ESR1MAOBCYP24A1
SCHEMBL5852025 0.78 ESR1 (0.72) EBPSIGMAR1ESR1MAOBMAOA

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