SCHEMBL30922724

SCHEMBL30922724

COC(=O)CCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL30759031 0.91 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922896 0.90 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922988 0.89 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922777 0.88 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922999 0.87 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922866 0.87 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27300174 0.87 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922816 0.86 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31040997 0.86 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922464 0.86 RXRA (0.40) 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
Send feedback