SCHEMBL7914568

SCHEMBL7914568

COCOCC(C)(C)[N+]([O-])=Cc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL8441698 0.89 NFE2L2 (0.35) NFE2L2POLBMAPTRAB9APTGS1
SCHEMBL7926748 0.81 AR (0.36) NFE2L2POLBMAPT
SCHEMBL7923573 0.79 NFE2L2 (0.42) NFE2L2PTGS1PTGS2
SCHEMBL7926808 0.79 POLB (0.40) POLBMAPTRAB9APTGS1PTGS2
SCHEMBL7914607 0.78 PTGS1 (0.37) NFE2L2POLBMAPTRAB9APTGS1
SCHEMBL7923570 0.70 NFE2L2 (0.35) NFE2L2POLBMAPTRAB9APTGS1
SCHEMBL7923592 0.70 PTGS1 (0.37) NFE2L2POLBMAPTRAB9APTGS1
SCHEMBL7922819 0.69 PTGS1 (0.31) NFE2L2PTGS1PTGS2
SCHEMBL7922797 0.68 HTR2A (0.39) NFE2L2
SCHEMBL7921534 0.68 CYP1A1 (0.49) NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP disclosed