SCHEMBL6551232

SCHEMBL6551232

CC(=O)n1cc(OP(Cl)Cl)c2c(Cl)c(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 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
SCHEMBL32691742 0.85 NOTUM (0.36) NOTUM
SCHEMBL3282414 0.83 NOTUM (0.41) NOTUM
SCHEMBL7108455 0.82 NOTUM (0.34) NOTUM
SCHEMBL6551234 0.75 NOTUM (0.37) NOTUM
SCHEMBL25288671 0.73 AKR1C3 (0.42) NOTUM
SCHEMBL3437628 0.69 CFD (0.33)
SCHEMBL11213858 0.69
SCHEMBL8959947 0.69 NOTUM (0.37) NOTUM
SCHEMBL8959872 0.69 CYP4F2 (0.38) NOTUM
Choline SCHEMBL7046834 0.67

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
EP-0970239-B1 DETECTION OF MICROBIAL METABOLITES BIOSYNTH AG (CH) 2004-12-08 EP disclosed