SCHEMBL30922890

SCHEMBL30922890

COC=C[C@H]1C[C@H]1c1c(C)cc2c(cnn2[C@H]2CCCCO2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ RET P07949 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ ATR Q13535 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
SCHEMBL30923264 1.00 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922405 1.00 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922537 0.88 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542412 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542431 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25375066 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29679937 0.80 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24536350 0.80 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922763 0.79 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922931 0.79 RXRA (0.41) 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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