SCHEMBL30959320

SCHEMBL30959320

C=C(F)c1c(C(F)(F)F)cc2c(cnn2C2CCCCO2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ATR Q13535 7/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RORC P51449 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL30959303 0.92 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959428 0.86 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959305 0.83 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959176 0.83 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959220 0.82 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31642739 0.81 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959438 0.81 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959191 0.81 ALDH1A1 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959262 0.80 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959334 0.79 RXRA (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 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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