SCHEMBL30848411

SCHEMBL30848411

Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.36
▸ CYP4A11 Q02928 3/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ PARG Q86W56 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
SCHEMBL29384146 0.87 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL16647245 0.87 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19096200 0.83 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30641330 0.81 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL26674786 0.81 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21230708 0.76 CYP4F2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29478948 0.76 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21393943 0.76 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25795327 0.74 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL23043733 0.74 CYP4F2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064335-A1 NAPHTHYL-SUBSTITUTED PYRANOPYRIMIDINONES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2024-03-28 — — WO disclosed
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