SCHEMBL8002012

SCHEMBL8002012

CC(=O)Oc1ccccc1C(CCCCBr)SC(CCCCBr)c1ccccc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58

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
SCHEMBL7998105 0.99 PTGS2 (0.60) PTGS2
SCHEMBL6535120 0.86 PTGS2 (0.59) PTGS2
SCHEMBL7998144 0.85 PTGS2 (0.59) PTGS2
SCHEMBL7998633 0.85 PTGS2 (0.60) PTGS2
SCHEMBL8002020 0.82 PTGS2 (0.52) PTGS2
SCHEMBL7998103 0.81 PTGS2 (0.52) PTGS2
SCHEMBL7998106 0.81 PTGS2 (0.54) PTGS2
SCHEMBL6535195 0.79 PTGS2 (0.59) PTGS2
SCHEMBL6534985 0.78 PTGS2 (0.47) PTGS2
SCHEMBL7994698 0.77 PTGS2 (0.44) PTGS2

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
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US disclosed