SCHEMBL7796459

SCHEMBL7796459

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.35
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP2 P08253 4/20 0.31
MMP9 P14780 3/20 0.31
ADAMTS4 O75173 1/20 0.31
S1PR1 P21453 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7789584 0.92 PSEN1 (0.34) SORT1ALDH1A1MAPTS1PR1
SCHEMBL7800178 0.91 ALDH1A1 (0.36) SORT1ALDH1A1ARMEN1KMT2A
SCHEMBL7797907 0.89 SORT1 (0.35) SORT1ALDH1A1MAPTMMP2MMP9
SCHEMBL7800186 0.88 MMP2 (0.41) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL7799007 0.87 SORT1 (0.34) SORT1ALDH1A1MAPTMMP2MMP9
SCHEMBL7800100 0.87 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7789529 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL7800253 0.84 CA2 (0.48) ALDH1A1MAPTMEN1KMT2AMMP2
SCHEMBL7799021 0.84 SORT1 (0.40) SORT1ALDH1A1NPC1RAB9ATAAR1
SCHEMBL7799070 0.83 SIGMAR1 (0.41) SORT1TAAR1

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