SCHEMBL31725782

SCHEMBL31725782

C/C=C\c1c(C(F)(F)F)cc2c(cnn2C2CCCCO2)c1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ ATR Q13535 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL31404826 0.85 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959270 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959571 0.82 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959494 0.81 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959145 0.81 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21243954 0.81 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959428 0.80 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959568 0.80 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30952509 0.79 CYP4F2 (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959253 0.79 HPGD (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235740-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-11-13 — — WO disclosed
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