SCHEMBL8559470

SCHEMBL8559470

COc1cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.41
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
NR4A2 P43354 4/20 0.38
RXRB P28702 5/20 0.38
RXRG P48443 3/20 0.38
MAOB P27338 1/20 0.37
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
MAPT P10636 1/20 0.35
F10 P00742 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL8555759 0.93 PTGS2 (0.39) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8561125 0.93 PTGS2 (0.47) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8559961 0.92 RXRA (0.43) RXRAPTGS2PTGS1SCN9AMAPT
SCHEMBL8559396 0.88 RXRA (0.48) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8558066 0.88 NR4A2 (0.40) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8561414 0.87 PTGS2 (0.47) RXRAPTGS2PTGS1SCN9AMAPT
SCHEMBL7508972 0.87 PTGS2 (0.46) RXRAPTGS2PTGS1RXRBRXRG
SCHEMBL8558990 0.87 NR4A2 (0.39) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8559262 0.86 NR4A2 (0.40) RXRAPTGS2PTGS1NR4A2RXRB
SCHEMBL8560188 0.85 PTGS2 (0.47) RXRAPTGS2PTGS1NR4A2RXRB

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