SCHEMBL31586146

SCHEMBL31586146

Cc1ccc2c(nnn2C2CCCCO2)c1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 14/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RET P07949 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATR Q13535 1/20 0.35

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
SCHEMBL21550760 0.85 CYP4F2 (0.39) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL21986747 0.84 PDE8B (0.38) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL21986774 0.81 CYP4F2 (0.39) PDE8BCYP4F2CYP4A11GAAATR
SCHEMBL21986776 0.81 CYP4F2 (0.37) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL31585878 0.81 CYP4F2 (0.36) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL21986732 0.79 CYP4F2 (0.38) PDE8BCYP4F2CYP4A11GAAALDH1A1
SCHEMBL31105919 0.77 GAA (0.47) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL20132934 0.77 ALDH1A1 (0.45) CYP4F2CYP4A11GAARETALDH1A1
SCHEMBL31105938 0.75 GAA (0.40) PDE8BCYP4F2CYP4A11GAARET
SCHEMBL21986816 0.74 ATR (0.36) PDE8BCYP4F2CYP4A11RETALDH1A1

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-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 — — WO disclosed
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