SCHEMBL30922537

SCHEMBL30922537

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1[C@H]1C[C@H]1C=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RET P07949 3/20 0.35
▸ ATR Q13535 2/20 0.32
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ GAA P10253 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
SCHEMBL30922420 0.88 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922836 0.88 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922405 0.88 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30923264 0.88 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922890 0.88 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25375066 0.87 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542412 0.87 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542431 0.87 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922763 0.85 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24536350 0.84 CYP4F2 (0.42) 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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