SCHEMBL7501020

SCHEMBL7501020

NS(=O)(=O)c1ccc(-c2oc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.58
PTGS1 P23219 6/20 0.58
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NR4A2 P43354 4/20 0.48
RXRA P19793 4/20 0.48
RXRB P28702 4/20 0.48
RXRG P48443 3/20 0.48
AOC3 Q16853 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TBXA2R P21731 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
SCHEMBL7501412 0.93 PTGS2 (0.60) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL7505591 0.93 NR4A2 (0.55) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL7503374 0.93 NR4A2 (0.55) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL9095581 0.89 PTGS2 (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7505153 0.89 PTGS2 (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7501237 0.88 PTGS2 (0.61) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL7505500 0.88 PTGS2 (0.61) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL7498736 0.86 CA1 (0.60) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL7499819 0.86 CA1 (0.60) PTGS2PTGS1CA1CA2NR4A2
SCHEMBL8558542 0.85 PTGS2 (0.43) PTGS2PTGS1NR4A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
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
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed