SCHEMBL30959414

SCHEMBL30959414

CCOC(=O)C(F)(F)c1c(C)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ ACSS2 Q9NR19 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ATR Q13535 8/20 0.33
▸ P2RY12 Q9H244 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PDE4B Q07343 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
SCHEMBL20974775 0.84 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959408 0.84 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959147 0.83 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959466 0.82 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31526972 0.79 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959367 0.79 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959467 0.78 CYP4F2 (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31527135 0.77 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31527053 0.77 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21195793 0.77 CYP4F2 (0.45) 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
Send feedback