SCHEMBL30724048

SCHEMBL30724048

O=C(O)C(CCCc1ccc(F)c2c1cnn2C1CCCCO1)CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 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
SCHEMBL30724001 0.85 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25918142 0.85 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24179526 0.76 RXRA (0.31) RXRARXRBRXRG
SCHEMBL30723887 0.76 RXRA (0.31) RXRARXRBRXRG
SCHEMBL25918141 0.75 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30724046 0.75 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25917489 0.73 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31014478 0.73 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30724113 0.73 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25918088 0.72 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 — — WO disclosed
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