SCHEMBL30723809

SCHEMBL30723809

O=C(O)CCCOc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ FABP3 P05413 3/20 0.43
▸ FABP4 P15090 3/20 0.43
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ S1PR5 Q9H228 2/20 0.39
▸ MAPK8 P45983 4/20 0.39
▸ MAPK9 P45984 4/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL30724136 0.88 ALOX5AP (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179486 0.85 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917394 0.85 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917464 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24179545 0.82 RXRA (0.46) RXRARXRBRXRGFABP4CYP4F2
SCHEMBL1141392 0.82 ATR (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL7272765 0.81 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25918088 0.81 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917465 0.80 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917467 0.79 RXRA (0.36) 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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