SCHEMBL30959406

SCHEMBL30959406

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1C1CC1(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATR Q13535 2/20 0.33
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ RET P07949 2/20 0.31
▸ KRAS P01116 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
SCHEMBL31527554 0.87 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29679937 0.85 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24536350 0.85 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959269 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195793 0.83 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542431 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30542412 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25375066 0.83 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959158 0.82 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19948345 0.82 CYP4F2 (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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