SCHEMBL8560188

SCHEMBL8560188

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.47
PTGS1 P23219 6/20 0.47
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RXRA P19793 3/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
PPARD Q03181 1/20 0.37
SCN9A Q15858 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPT P10636 3/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL8561125 0.93 PTGS2 (0.47) PTGS2PTGS1ADORA2AADORA1RXRA
SCHEMBL8555759 0.93 PTGS2 (0.39) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL8559432 0.92 MAPK1 (0.40) ADORA1RXRASCN9AMAPT
SCHEMBL8560736 0.89 PTGS2 (0.47) PTGS2PTGS1RXRASCN9AMAPT
SCHEMBL8555918 0.89 RXRA (0.38) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL8560006 0.88 RXRA (0.48) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL8559701 0.88 RXRA (0.39) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505718 0.87 PTGS2 (0.54) PTGS2PTGS1ADORA2AADORA1RXRA
SCHEMBL8560020 0.86 RXRA (0.39) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL8559470 0.85 RXRA (0.41) PTGS2PTGS1RXRARXRBRXRG

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