SCHEMBL30922988

SCHEMBL30922988

COC(=O)COCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ SLC6A3 Q01959 4/20 0.31
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MCL1 Q07820 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 0.93 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923020 0.91 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922381 0.90 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922724 0.89 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922643 0.87 KRAS (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922385 0.86 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922464 0.84 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922866 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922999 0.83 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27300174 0.83 RXRA (0.39) 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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