SCHEMBL8552548

SCHEMBL8552548

CS(=O)(=O)c1ccc(-c2oc(CCCO)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.62
PTGS1 P23219 6/20 0.62
NR4A2 P43354 3/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
ESR2 Q92731 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
SCHEMBL7502336 0.93 PTGS2 (0.65) PTGS2PTGS1NR4A2
SCHEMBL6022651 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6025799 0.88 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5732600 0.88 RXRA (0.63) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7500353 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7505153 0.85 PTGS2 (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL9095581 0.85 PTGS2 (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL5732857 0.85 RXRA (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL5732397 0.85 RXRA (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7574288 0.85 PTGS2 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed