SCHEMBL7602037

SCHEMBL7602037

Cc1c(CCC(=O)O)cccc1NC(=O)C(c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1)C(C)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.47
PTGS2 P35354 13/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7602771 0.94 SMN1; SMN2 (0.43) PTGESPTGS2SMN1; SMN2
SCHEMBL7601064 0.90 PTGES (0.59) PTGESPTGS2SMN1; SMN2
SCHEMBL7601258 0.88 PTGES (0.52) PTGESPTGS2SMN1; SMN2
SCHEMBL1080100 0.87 PTGES (0.46) PTGESPTGS2
SCHEMBL1178083 0.81 PTGES (0.47) PTGESPTGS2
SCHEMBL1178773 0.80 PTGES (0.40) PTGESPTGS2
SCHEMBL7606114 0.80 SMN1; SMN2 (0.44) PTGESSMN1; SMN2
SCHEMBL1178359 0.80 PTGES (0.39) PTGESPTGS2
SCHEMBL13660722 0.79 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL1178752 0.79 PTGES (0.49) PTGESPTGS2

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed