SCHEMBL8560970

SCHEMBL8560970

NS(=O)(=O)c1ccccc1-c1oc(COc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 5/20 0.42
RXRA P19793 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PPARD Q03181 1/20 0.38
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
UCHL3 P15374 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NR4A2 P43354 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CA7 P43166 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8558002 0.96 CA12 (0.43) PTGS1ALOX5PTGS2RXRACA12
SCHEMBL8553646 0.92 CA12 (0.44) PTGS1PTGS2RXRACA12CA1
SCHEMBL8558777 0.90 TDP1 (0.43) PTGS1ALOX5PTGS2RXRAPPARD
SCHEMBL8556746 0.89 GRM5 (0.41) PTGS1ALOX5RXRAPPARDNR4A2
SCHEMBL8555127 0.88 NPC1 (0.41) PTGS1ALOX5PTGS2RXRACA12
SCHEMBL8560604 0.87 GRM5 (0.41) PTGS1ALOX5PTGS2RXRAUSP1
SCHEMBL9026925 0.87 RXRA (0.44) PTGS1PTGS2RXRACA12CA1
SCHEMBL8559954 0.87 PTGS2 (0.41) PTGS1ALOX5PTGS2RXRAUSP1
SCHEMBL8555996 0.85 RXRA (0.43) PTGS1PTGS2RXRAPPARDNR4A2
SCHEMBL8557269 0.85 NR4A2 (0.44) RXRACA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed