SCHEMBL5313768

SCHEMBL5313768

CNS(=O)(=O)c1cc(C(=O)CCC[CH]C(C)(C)C)cc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 5/20 0.47
ALOX5 P09917 3/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5311622 0.89 PTGS1 (0.45) PTGS2PTGS1ALOX5
SCHEMBL4857154 0.84 PTGS2 (0.47) PTGS2PTGS1ALOX5TDP1
SCHEMBL14529320 0.83 PTGS1 (0.47) PTGS2PTGS1ALOX5TDP1
SCHEMBL5328862 0.81 NLRP3 (0.34) PTGS2PTGS1TDP1
SCHEMBL5981403 0.73 PTGS1 (0.38) PTGS2PTGS1TDP1
SCHEMBL5981600 0.73 PTGS1 (0.38) PTGS2PTGS1TDP1
SCHEMBL4856564 0.73 PTGS2 (0.45) PTGS2PTGS1ALOX5
Hydrochloric Acid SCHEMBL4852562 0.73 PTGS1 (0.38) PTGS2PTGS1TDP1
Hydrochloric Acid SCHEMBL4860559 0.73 PTGS1 (0.38) PTGS2PTGS1TDP1
SCHEMBL28753783 0.72 PTGS2 (0.51) PTGS2PTGS1ALOX5

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-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed