SCHEMBL8559954

SCHEMBL8559954

NS(=O)(=O)c1ccccc1-c1oc(COCc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
PTGS1 P23219 6/20 0.41
RXRA P19793 4/20 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 3/20 0.36
RXRB P28702 3/20 0.35
RXRG P48443 1/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8561129 0.87 PTGS2 (0.44) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8560970 0.87 PTGS1 (0.43) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8558075 0.86 PTGS2 (0.43) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL7500957 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8558542 0.84 PTGS2 (0.43) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8558002 0.84 CA12 (0.43) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL8556142 0.83 PTGS2 (0.46) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8560604 0.82 GRM5 (0.41) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8558402 0.81 PTGS2 (0.44) PTGS2PTGS1RXRAUSP1USP19
SCHEMBL8558731 0.81 PTGS2 (0.47) PTGS2PTGS1RXRAUSP1USP19

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