SCHEMBL7799014

SCHEMBL7799014

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)Oc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
PSMB5 P28074 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 2/20 0.35
NCEH1 Q6PIU2 2/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ROCK2 O75116 1/20 0.34
XIAP P98170 1/20 0.34
FAAH O00519 3/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34

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
SCHEMBL7799039 0.85 BCHE (0.37) ALDH1A1RAB9A
SCHEMBL7800078 0.84 PPARG (0.41) HSD17B10ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7797836 0.83 NPC1 (0.38) ALDH1A1GAAKMT2AMEN1RAB9A
SCHEMBL8178968 0.83 NPC1 (0.38) ALDH1A1GAAKMT2AMEN1RAB9A
SCHEMBL8182503 0.81 TGM2 (0.47) ALDH1A1
SCHEMBL7796404 0.81 TGM2 (0.47) ALDH1A1
SCHEMBL7800188 0.81 GAA (0.42) ALDH1A1GAAKMT2AMEN1RAB9A
SCHEMBL7796487 0.81 PPARG (0.37) ALDH1A1GAAPSMB5L3MBTL1CNR1
SCHEMBL7789557 0.80 ATM (0.47) HSD17B10ALDH1A1KMT2AMEN1RAB9A
SCHEMBL7797932 0.80 MMP8 (0.39)

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