SCHEMBL8558565

SCHEMBL8558565

Cc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
ALOX5AP P20292 6/20 0.41
FEN1 P39748 6/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GPR174 Q9BXC1 1/20 0.35
ENPP3 O14638 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL8559238 0.92 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1TP53
SCHEMBL8557215 0.92 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1TP53
SCHEMBL8558256 0.91 MAOB (0.41) PTGS2PTGS1ALOX5APFEN1MAPT
SCHEMBL8554948 0.91 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1MAOB
SCHEMBL8559701 0.88 RXRA (0.39) PTGS2PTGS1MAPTMAOBRXRA
SCHEMBL8560736 0.88 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1MAPT
SCHEMBL8557001 0.87 RXRA (0.40) PTGS2PTGS1ALOX5APFEN1MAOB
SCHEMBL8555554 0.87 RXRA (0.47) PTGS2PTGS1ALOX5APFEN1MAPT
SCHEMBL8560020 0.86 RXRA (0.39) PTGS2PTGS1MAPTMAOBRXRA
SCHEMBL7503580 0.86 PTGS2 (0.49) PTGS2PTGS1TP53MAPTRXRA

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