SCHEMBL30922853

SCHEMBL30922853

CCOC(=O)CCCCc1c(C(F)(F)F)cc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ RIN1 Q13671 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ CYP11B1 P15538 2/20 0.30
▸ CYP11B2 P19099 2/20 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
SCHEMBL30922504 0.90 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923128 0.89 RXRA (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923037 0.88 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922452 0.82 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923075 0.82 KRAS (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922446 0.79 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922645 0.79 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922886 0.79 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27299482 0.78 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922732 0.78 RXRA (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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