SCHEMBL8556992

SCHEMBL8556992

Cc1cc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.40
PTGS2 P35354 5/20 0.40
ALOX5AP P20292 5/20 0.39
FEN1 P39748 5/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
NR4A2 P43354 1/20 0.39
MAOB P27338 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
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
SMN1; SMN2 Q16637 1/20 0.34
RXRG P48443 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) PTGS1PTGS2ALOX5APFEN1RXRA
SCHEMBL8557215 0.92 PTGS2 (0.42) PTGS1PTGS2ALOX5APFEN1RXRA
SCHEMBL8561401 0.91 MAOB (0.41) PTGS1PTGS2RXRARXRBNR4A2
SCHEMBL8557992 0.91 ALOX5AP (0.41) PTGS1PTGS2ALOX5APFEN1RXRA
SCHEMBL8558066 0.88 NR4A2 (0.40) PTGS1PTGS2RXRARXRBNR4A2
SCHEMBL8559262 0.86 NR4A2 (0.40) PTGS1PTGS2RXRARXRBNR4A2
SCHEMBL7501068 0.86 PTGS2 (0.49) PTGS1PTGS2RXRARXRBNR4A2
SCHEMBL8561414 0.86 PTGS2 (0.47) PTGS1PTGS2ALOX5APFEN1RXRA
SCHEMBL8561129 0.86 PTGS2 (0.44) PTGS1PTGS2RXRARXRBNR4A2
SCHEMBL8560532 0.86 RXRA (0.46) PTGS1PTGS2RXRARXRBNR4A2

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