SCHEMBL7789557

SCHEMBL7789557

CC(C)(C)OC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ACE P12821 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8175419 1.00 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL8181240 1.00 ATM (0.47) ATMCTSSCTSKCTSLCTSB
SCHEMBL8178968 0.90 NPC1 (0.38) ATMALDH1A1LMNATSHRMEN1
SCHEMBL7797836 0.90 NPC1 (0.38) ATMALDH1A1LMNATSHRMEN1
SCHEMBL7797932 0.87 MMP8 (0.39) ATMLMNATSHRSMN1; SMN2MLYCD
SCHEMBL7797842 0.87 NPC1 (0.39) ATMCTSKCTSLCTSBALDH1A1
SCHEMBL7799085 0.87 PTPRB (0.39) ATMALDH1A1ACELMNATSHR
SCHEMBL7796404 0.86 TGM2 (0.47) ATMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL8182503 0.86 TGM2 (0.47) ATMALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7799039 0.86 BCHE (0.37) ALDH1A1MLYCDRAB9A

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 7 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 claimed
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