SCHEMBL7800078

SCHEMBL7800078

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)Oc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
FAAH O00519 1/20 0.39
EPHX1 P07099 1/20 0.39
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARD Q03181 3/20 0.36
ACHE P22303 6/20 0.36
BCHE P06276 5/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PIN1 Q13526 1/20 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 0.90 BCHE (0.37) ALDH1A1ACHEBCHE
SCHEMBL7800188 0.87 GAA (0.42) PPARGPPARAKMT2AL3MBTL1ALDH1A1
SCHEMBL7796487 0.87 PPARG (0.37) PPARGPPARAL3MBTL1ALDH1A1ACHE
SCHEMBL7797817 0.84 MEN1 (0.41) FAAHKMT2AMEN1MAPT
SCHEMBL7799014 0.84 HSD17B10 (0.42) FAAHKMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL7797836 0.84 NPC1 (0.38) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL8178968 0.84 NPC1 (0.38) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL8182503 0.82 TGM2 (0.47) ALDH1A1
SCHEMBL7796404 0.82 TGM2 (0.47) ALDH1A1
SCHEMBL7797842 0.81 NPC1 (0.39) L3MBTL1ALDH1A1MAPTTDP1

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