SCHEMBL30724001

SCHEMBL30724001

O=C(O)C(CCCc1cccc2c1cnn2C1CCCCO1)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ TP53 P04637 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ IL1B P01584 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL25918142 1.00 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30724046 0.89 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25918141 0.89 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917489 0.88 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30724048 0.85 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179526 0.83 RXRA (0.31) RXRARXRBRXRG
SCHEMBL30723887 0.83 RXRA (0.31) RXRARXRBRXRG
SCHEMBL25918088 0.83 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917491 0.82 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179545 0.80 RXRA (0.46) 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
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