SCHEMBL7797834

SCHEMBL7797834

COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP9 P14780 2/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
MMP1 P03956 8/20 0.43
MMP13 P45452 8/20 0.43
HTT P42858 1/20 0.42
MMP3 P08254 7/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MMP7 P09237 2/20 0.41
BMP1 P13497 2/20 0.41
KEAP1 Q14145 1/20 0.41
KCNA5 P22460 1/20 0.40
GGT1 P19440 1/20 0.39

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
SCHEMBL7800186 0.91 MMP2 (0.41) MMP2MMP9ALDH1A1POLBMMP1
SCHEMBL7800253 0.89 CA2 (0.48) MMP2MMP9ALDH1A1POLB
SCHEMBL7789529 0.88 ALDH1A1 (0.44) MMP2MMP9ALDH1A1MMP1MMP13
SCHEMBL7796443 0.85 ALDH1A1 (0.40) MMP2MMP9ALDH1A1MMP1MMP13
SCHEMBL7799004 0.84 FPR2 (0.41) ALDH1A1
SCHEMBL7797907 0.83 SORT1 (0.35) MMP2MMP9ALDH1A1POLB
SCHEMBL7799006 0.82 LTA4H (0.42) HTT
SCHEMBL7796459 0.82 SORT1 (0.35) MMP2MMP9ALDH1A1POLB
SCHEMBL7800273 0.81 SMN1; SMN2 (0.46) ALDH1A1HTT
SCHEMBL7800188 0.81 GAA (0.42) MMP9ALDH1A1POLBMMP1HTT

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