SCHEMBL27299482

SCHEMBL27299482

CCCC(=O)CCCc1c(C)cc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

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 0.34
▸ CYP4A11 Q02928 2/20 0.34

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
SCHEMBL30923037 0.90 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922796 0.89 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922605 0.88 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922504 0.88 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922886 0.87 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922446 0.86 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922716 0.84 CYP4F2 (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923003 0.84 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923075 0.84 KRAS (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922674 0.83 CYP4F2 (0.34) 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-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
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