SCHEMBL30922716

SCHEMBL30922716

Cc1cc2c(cnn2C2CCCCO2)c(B2OC(C)(C)C(C)(C)O2)c1CCC=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL30922674 0.92 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922605 0.87 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922796 0.86 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922846 0.86 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL23043733 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922886 0.85 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL27299482 0.84 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922830 0.84 RXRA (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922389 0.84 KRAS (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922446 0.84 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG

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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