SCHEMBL6167824

SCHEMBL6167824

O/N=C(\Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CTBP2 P56545 1/20 0.51
XDH P47989 2/20 0.50
GRIN2B Q13224 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL6167827 1.00 GAA (0.55) GAACTBP2XDHGRIN2BCTSL
SCHEMBL28114086 0.92 CTBP2 (0.57) GAACTBP2XDHGRIN2BCTSL
SCHEMBL4586154 0.82 CTSL (0.55) CTBP2XDHCTSLNLRP3KDM4E
SCHEMBL4586157 0.82 CTSL (0.55) CTBP2XDHCTSLNLRP3KDM4E
SCHEMBL257218 0.82 CTSL (0.55) CTBP2XDHCTSLNLRP3KDM4E
SCHEMBL28303420 0.81 CTBP2 (0.51) CTBP2XDHGRIN2BCTSLNLRP3
SCHEMBL28487187 0.81 L3MBTL1 (0.58) CTBP2XDHGRIN2BCTSLNLRP3
SCHEMBL27836250 0.80 KDM4E (0.50) GAACTBP2GRIN2BCTSLCTSB
SCHEMBL8473989 0.80 MGLL (0.47) XDHGRIN2BNLRP3KDM4ESMN1; SMN2
SCHEMBL8473991 0.80 MGLL (0.47) XDHGRIN2BNLRP3KDM4ESMN1; SMN2

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