SCHEMBL7789584

SCHEMBL7789584

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SORT1 Q99523 1/20 0.33
ACACB O00763 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 1/20 0.32
CXCR2 P25025 1/20 0.32
SLC6A9 P48067 1/20 0.32
S1PR1 P21453 1/20 0.31
TBXAS1 P24557 1/20 0.31
ITGAV P06756 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7796459 0.92 SORT1 (0.35) SORT1S1PR1ALDH1A1MAPT
SCHEMBL7800178 0.88 ALDH1A1 (0.36) SORT1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL7797907 0.86 SORT1 (0.35) SORT1ALDH1A1MAPT
SCHEMBL7800186 0.85 MMP2 (0.41) S1PR1ALDH1A1MAPT
SCHEMBL7799007 0.84 SORT1 (0.34) SORT1ALDH1A1MAPT
SCHEMBL7800100 0.84 ALDH1A1 (0.37) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL7789529 0.82 ALDH1A1 (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL7800253 0.82 CA2 (0.48) ALDH1A1MAPT
SCHEMBL7799021 0.81 SORT1 (0.40) SORT1ALDH1A1
SCHEMBL7800194 0.81 SIGMAR1 (0.43) SORT1

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