SCHEMBL30922385

SCHEMBL30922385

O=C(O)COCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.32
▸ TBXA2R P21731 1/20 0.31
▸ CYP4F2 P78329 3/20 0.31
▸ CYP4A11 Q02928 3/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ KRAS P01116 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 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
SCHEMBL30923020 0.95 RXRA (0.42) RXRARXRBRXRGDGAT2TBXA2R
SCHEMBL30922381 0.89 RXRA (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922643 0.88 KRAS (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922810 0.88 RXRA (0.46) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922988 0.86 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922999 0.86 RXRA (0.44) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922657 0.85 RXRA (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922896 0.85 RXRA (0.43) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922456 0.84 RXRA (0.41) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30922464 0.82 RXRA (0.40) RXRARXRBRXRGDGAT2CYP4F2

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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