SCHEMBL7941385

SCHEMBL7941385

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.32
DGAT1 O75907 1/20 0.31
GAA P10253 1/20 0.31
APLNR P35414 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APEX1 P27695 1/20 0.30
MAOB P27338 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX5 P09917 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
SCHEMBL7941387 0.85 GAA (0.36) UGT2B7GAAAPLNRNPSR1APEX1
SCHEMBL7938014 0.80 SLC6A12 (0.35) APLNRMAOB
SCHEMBL3453898 0.75 KMT2A (0.36) KDM4E
SCHEMBL20537295 0.74 ALOX5 (0.39) UGT2B7GAAALOX5
SCHEMBL28533937 0.73 LMNA (0.38) APEX1ALOX5
SCHEMBL15299925 0.72 KDM5A (0.43) ALOX5
SCHEMBL15299922 0.72 KDM5A (0.43) ALOX5
SCHEMBL9063104 0.72 TSHR (0.40) ALOX5
SCHEMBL10423804 0.72 KDM5A (0.43) ALOX5
SCHEMBL15300078 0.72 KDM5A (0.43) ALOX5

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