SCHEMBL30758979

SCHEMBL30758979

CCOC(=O)CCCCc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CYP4F2 P78329 4/20 0.35
▸ CYP4A11 Q02928 4/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ TBXAS1 P24557 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ HTR4 Q13639 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ UCHL1 P09936 1/20 0.31
▸ CTNNB1 P35222 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
SCHEMBL30922504 0.89 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923037 0.88 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923128 0.87 RXRA (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922853 0.85 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30758953 0.85 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25917431 0.83 CYP4F2 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922452 0.81 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923075 0.79 KRAS (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16647245 0.79 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29384146 0.79 CYP4F2 (0.39) 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-4573095-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-06-25 — — EP disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 — — WO disclosed
Send feedback