SCHEMBL23588179

SCHEMBL23588179

CCNOC(=N)CC(C(=O)OC(C)(C)C)P(=O)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23588184 0.83
SCHEMBL23588131 0.81 GAA (0.35) GAACYP3A4CYP2C9CYP2C19
SCHEMBL30050578 0.79 GAA (0.38) GAACYP3A4CYP2C9CYP2C19
SCHEMBL6819825 0.79 GAA (0.36) GAACYP3A4CYP2C9CYP2C19
SCHEMBL25801646 0.77 ALDH1A1 (0.41) GAACYP3A4CYP2C9CYP2C19
SCHEMBL23578550 0.77 GAA (0.35) GAACYP3A4CYP2C9CYP2C19
SCHEMBL5575508 0.77 CYP3A4 (0.38) GAACYP3A4CYP2C9CYP2C19
SCHEMBL23578214 0.75 GAA (0.34) GAACYP3A4CYP2C9CYP2C19
SCHEMBL13269359 0.74 POLB (0.38) GAACYP3A4CYP2C9CYP2C19
SCHEMBL25801739 0.74 GAA (0.33) GAACYP3A4CYP2C9CYP2C19

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-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 WO disclosed