SCHEMBL30922846

SCHEMBL30922846

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

nearest known ligand 0.36

Predicted protein targets (top 12)

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
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ ATR Q13535 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
SCHEMBL30922674 0.91 CYP4F2 (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922716 0.86 CYP4F2 (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922605 0.84 CYP4F2 (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL23043733 0.84 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922796 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25795327 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21243880 0.82 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922886 0.82 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29680540 0.82 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24536354 0.82 CYP4F2 (0.37) 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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