SCHEMBL7799006

SCHEMBL7799006

COc1ccc(CNC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7797844 0.90 SIGMAR1 (0.39) L3MBTL1TDP1SIGMAR1
SCHEMBL7796457 0.88 SMN1; SMN2 (0.39) L3MBTL1MEN1KMT2ASIGMAR1HTT
SCHEMBL7799004 0.87 FPR2 (0.41) LTA4HL3MBTL1TDP1MEN1KMT2A
SCHEMBL7789529 0.83 ALDH1A1 (0.44) LTA4HL3MBTL1TDP1MEN1KMT2A
SCHEMBL7797834 0.82 MMP2 (0.49) HTT
SCHEMBL7799070 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL7800188 0.82 GAA (0.42) L3MBTL1TDP1MEN1KMT2ALMNA
SCHEMBL7800273 0.82 SMN1; SMN2 (0.46) L3MBTL1TDP1MEN1KMT2ALMNA
SCHEMBL7796565 0.81 ATM (0.48) MEN1KMT2ALMNATSHRCYP1A2
SCHEMBL7796639 0.81 PTPRF (0.40) MEN1KMT2ALMNAHTTCYP1A2

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 5 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-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