SCHEMBL30922381

SCHEMBL30922381

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ PPOX P50336 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ SMO Q99835 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
SCHEMBL30922657 0.97 RXRA (0.36) RXRARXRBRXRGHRH1P2RY12
SCHEMBL30922988 0.90 RXRA (0.37) RXRARXRBRXRGHRH1P2RY12
SCHEMBL30922643 0.89 KRAS (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922385 0.89 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923020 0.86 RXRA (0.42) RXRARXRBRXRGP2RY12CYP4F2
SCHEMBL30922415 0.83 P2RY12 (0.35) RXRARXRBRXRGHRH1P2RY12
SCHEMBL30922724 0.82 RXRA (0.38) RXRARXRBRXRGHRH1P2RY12
SCHEMBL31127858 0.81 RXRA (0.41) RXRARXRBRXRGP2RY12CYP4F2
SCHEMBL30922464 0.81 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922456 0.81 RXRA (0.41) 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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