SCHEMBL25813461

SCHEMBL25813461

Cc1c(NC(=O)C2COC(C(C)C)OC2)c(C)c(C(=O)Cl)c(C)c1C(=O)Cl

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL22661234 0.91
SCHEMBL22661220 0.88 LMNA (0.30)
SCHEMBL9779707 0.82 LMNA (0.34)
SCHEMBL22661235 0.79
SCHEMBL22661222 0.78 LMNA (0.32)
SCHEMBL22645195 0.72 LMNA (0.36)
SCHEMBL28884833 0.70
SCHEMBL7581401 0.69
SCHEMBL9779853 0.69 CNR2 (0.31)
SCHEMBL20471450 0.69

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-2023117667-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODOISOPHTHALIC BISAMIDES BRACCO IMAGING SPA (IT) 2023-06-29 WO disclosed