SCHEMBL7800178

SCHEMBL7800178

O=S(=O)(Cc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
F2 P00734 2/20 0.35
SORT1 Q99523 1/20 0.35
STS P08842 1/20 0.34
ITGAV P06756 1/20 0.33

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
SCHEMBL7800100 0.94 ALDH1A1 (0.37) ALDH1A1MEN1HTTKMT2ASLC1A3
SCHEMBL7789529 0.91 ALDH1A1 (0.44) ALDH1A1MEN1HTTKMT2AITGB3
SCHEMBL7796459 0.91 SORT1 (0.35) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL7789638 0.90 MAPT (0.43) ALDH1A1MEN1HTTKMT2AMMP2
SCHEMBL7789584 0.88 PSEN1 (0.34) ALDH1A1ITGB3ITGA2BSORT1ITGAV
SCHEMBL7797907 0.87 SORT1 (0.35) ALDH1A1MMP2MMP9SORT1PLG
SCHEMBL7800186 0.86 MMP2 (0.41) ALDH1A1CA2MMP1MMP2MMP9
SCHEMBL7799007 0.85 SORT1 (0.34) ALDH1A1MMP2MMP9SORT1
SCHEMBL7800253 0.82 CA2 (0.48) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL7799021 0.81 SORT1 (0.40) ALDH1A1SORT1

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-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed