SCHEMBL7799016

SCHEMBL7799016

Cc1ccc(NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SORT1 Q99523 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
MMP9 P14780 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
SLC18A2 Q05940 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7796593 0.91 SORT1 (0.36) ALDH1A1SORT1CYP1A2CYP2C9CYP2C19
SCHEMBL7799004 0.87 FPR2 (0.41) ALDH1A1GAAMAPTCYP2C19LMNA
SCHEMBL7796457 0.86 SMN1; SMN2 (0.39) HTTALDH1A1SORT1CYP1A2CYP2C19
SCHEMBL7799021 0.85 SORT1 (0.40) ALDH1A1SORT1TAAR1SLC18A2SIGMAR1
SCHEMBL7800253 0.83 CA2 (0.48) ALDH1A1GAAPOLBMAPTCYP1A2
SCHEMBL7797819 0.83 CA1 (0.41) HTTALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7799098 0.82 RXFP1 (0.40) HTTPOLBMAPTLMNAMMP9
SCHEMBL7800100 0.82 ALDH1A1 (0.37) HTTALDH1A1GAAMAPTLMNA
SCHEMBL7796591 0.81 SIGMAR1 (0.36) ALDH1A1SORT1TAAR1SLC18A2SIGMAR1
SCHEMBL7799070 0.81 SIGMAR1 (0.41) SORT1TAAR1SLC18A2SIGMAR1

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