SCHEMBL30922886

SCHEMBL30922886

COC(=O)CCc1c(C)cc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ POLQ O75417 1/20 0.31
▸ KRAS P01116 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL30922796 0.91 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923037 0.89 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922504 0.88 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27299482 0.87 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922605 0.87 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922452 0.87 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922446 0.86 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923075 0.86 KRAS (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922716 0.85 CYP4F2 (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922674 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
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