SCHEMBL30769387

SCHEMBL30769387

COc1ccc2c(c1)CCC=C2c1ccc(O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
ELANE P08246 1/20 0.44
MIF P14174 3/20 0.43
CYP26A1 O43174 2/20 0.43
ESR1 P03372 3/20 0.41
CYP24A1 Q07973 1/20 0.41
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ERN1 O75460 1/20 0.38
MAPK14 Q16539 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL30769413 0.80 MAOB (0.48) MPOELANECYP24A1
SCHEMBL8309725 0.80 ESR1 (0.52) MPOELANEMIFCYP26A1ESR1
SCHEMBL30768918 0.79 MPO (0.46) MPOELANEMIFCYP26A1CYP24A1
SCHEMBL31285043 0.77 MPO (0.66) MPOELANEMIFCYP26A1ESR1
SCHEMBL4802603 0.76 MPO (0.60) MPOELANEESR1CYP17A1CYP3A4
SCHEMBL12365375 0.74 KDM4E (0.45) MPOELANEMAPK14MAPTKMT2A
SCHEMBL6858889 0.73 MPO (0.57) MPOELANEMIFCYP26A1ESR1
SCHEMBL12365372 0.73 MAPK14 (0.43) MPOMAPK14MAPTKMT2ATDP1
SCHEMBL14267917 0.72 MPO (0.56) MPOELANECYP17A1CYP3A4CYP11B1
SCHEMBL30769328 0.72 MPO (0.46) MPOELANECYP24A1ALDH1A1

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