SCHEMBL6168321

SCHEMBL6168321

ON=C(Cc1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.49
XDH P47989 6/20 0.42
CTBP2 P56545 2/20 0.42
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NLRP3 Q96P20 2/20 0.40
TLR4 O00206 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSL P07711 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CTSB P07858 1/20 0.37

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
SCHEMBL6168318 1.00 MGLL (0.49) MGLLXDHCTBP2DRD4SMN1; SMN2
SCHEMBL4586342 0.84 ALDH1A1 (0.51) MGLLXDHCTBP2DRD4SMN1; SMN2
SCHEMBL4586337 0.84 ALDH1A1 (0.51) MGLLXDHCTBP2DRD4SMN1; SMN2
SCHEMBL4586154 0.81 CTSL (0.55) MGLLXDHCTBP2SMN1; SMN2KDM4E
SCHEMBL4586157 0.81 CTSL (0.55) MGLLXDHCTBP2SMN1; SMN2KDM4E
SCHEMBL257218 0.81 CTSL (0.55) MGLLXDHCTBP2SMN1; SMN2KDM4E
SCHEMBL28291535 0.80 CTBP2 (0.51) MGLLXDHCTBP2DRD4SMN1; SMN2
SCHEMBL6179567 0.79 MGLL (0.50) MGLLXDHCTBP2SMN1; SMN2KDM4E
SCHEMBL6179568 0.79 MGLL (0.50) MGLLXDHCTBP2SMN1; SMN2KDM4E
SCHEMBL6736924 0.78 MGLL (0.46) MGLLXDHCTBP2SMN1; SMN2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed