SCHEMBL30959467

SCHEMBL30959467

CCOc1c(C)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 5/20 0.41
▸ CYP4A11 Q02928 5/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ ATR Q13535 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PDE1A P54750 5/20 0.36
▸ PDE1B Q01064 5/20 0.36
▸ PDE1C Q14123 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RET P07949 2/20 0.33

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
SCHEMBL31527476 0.88 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959653 0.86 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31527053 0.84 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959464 0.84 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31527135 0.84 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195793 0.84 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1142105 0.83 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19948345 0.83 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29344289 0.82 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24536348 0.82 ALDH1A1 (0.44) 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-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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