SCHEMBL7799004

SCHEMBL7799004

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
LTA4H P09960 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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 0.88 SORT1 (0.36) ALDH1A1TDP1L3MBTL1CYP2D6CYP2C19
SCHEMBL7799016 0.87 NPBWR1 (0.36) LMNAALDH1A1CYP2C19SMN1; SMN2GAA
SCHEMBL7799006 0.87 LTA4H (0.42) LTA4HKMT2AMEN1LMNATSHR
SCHEMBL7796568 0.87 FPR2 (0.55) FPR2KMT2AMEN1LMNAALDH1A1
SCHEMBL7797834 0.84 MMP2 (0.49) ALDH1A1
SCHEMBL7800273 0.83 SMN1; SMN2 (0.46) FPR2KMT2AMEN1LMNAALDH1A1
SCHEMBL7800188 0.83 GAA (0.42) FPR2KMT2AMEN1LMNAALDH1A1
SCHEMBL7789529 0.83 ALDH1A1 (0.44) LTA4HKMT2AMEN1LMNAALDH1A1
SCHEMBL7799021 0.82 SORT1 (0.40) ALDH1A1TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7796565 0.81 ATM (0.48) KMT2AMEN1LMNAALDH1A1TSHR

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