SCHEMBL30723744

SCHEMBL30723744

O=S(=O)(OC1=CCCCc2c1ccc1c2cnn1C1CCCCO1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31

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
SCHEMBL30723894 0.86 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30723873 0.83
SCHEMBL30724061 0.81 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14243949 0.80 ALDH1A1 (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29474181 0.75 RXRA (0.35) RXRARXRBRXRG
SCHEMBL24179546 0.74 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31348347 0.73 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL11911452 0.73 RXRA (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30724070 0.72 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179437 0.72 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11

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