SCHEMBL7938005

SCHEMBL7938005

CC1(C)C(C(=O)O)C(C(=O)O)C(C)(C)N1[O]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7938007 1.00 APLNR (0.35) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL7939011 1.00 APLNR (0.35) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL29854028 0.84 ALDH1A1 (0.30) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL6142177 0.84 ALDH1A1 (0.30) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL9272403 0.78 APLNR (0.35) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL7938008 0.78 APLNR (0.35) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL5246594 0.69 APLNR (0.41) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL3385056 0.69 APLNR (0.41) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL11260869 0.69 APLNR (0.41) APLNRALDH1A1TP53ALOX15MAPK1
SCHEMBL350106 0.65 MAPK1 (0.44) APLNRALDH1A1TP53ALOX15MAPK1

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-6239145-B1 USABLE IN ACQUIRING INFORMATION ABOUT ACTIVE OXYGEN OR IN VIVO FREE RADICALS AS BIOLOGICAL IMAGES SUCH AS MAGNETIC RESONANCE IMAGES OR MAGNETOENCEPHALOGRAMS; DAIITCHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2001-05-29 US disclosed
EP-0995740-A1 NOVEL NITROXYL COMPOUNDS AND DRUGS AND REAGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-04-26 EP disclosed