SCHEMBL30959411

SCHEMBL30959411

OB(O)c1c(C2=CCC2)c(Cl)cc2c1cnn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 9)

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
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DGAT2 Q96PD7 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
SCHEMBL30959145 0.85 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959597 0.84 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959659 0.81 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959452 0.80 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959396 0.80 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959258 0.80 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31404826 0.80 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21243927 0.79 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959675 0.79 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959298 0.78 RXRA (0.37) 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-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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