SCHEMBL8601934

SCHEMBL8601934

CC1(C)C(N)C(C(=O)O)C(C)(C)N1O

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7938008 0.84 APLNR (0.35) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL9272403 0.84 APLNR (0.35) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL6142177 0.78 ALDH1A1 (0.30) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL29854028 0.78 ALDH1A1 (0.30) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL12500631 0.71 KMT2A (0.30)
SCHEMBL636829 0.71
SCHEMBL8598869 0.67 GAA (0.31)
SCHEMBL11260869 0.67 APLNR (0.41) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL5246594 0.67 APLNR (0.41) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2
SCHEMBL3385056 0.67 APLNR (0.41) ALDH1A1TP53ALOX15MAPK1SMN1; SMN2

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-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP claimed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO claimed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 US claimed
EP-0822835-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORP. (US) 1998-02-11 EP disclosed
WO-1996032967-A1 HYBRID MAGNETIC RESONANCE CONTRAST AGENTS IMARX PHARMACEUTICAL CORPORATION (US) 1996-10-24 WO disclosed
US-5407657-A Containing a metal chelate and a free radical nitroxide IMARX THERAPEUTICS, INC. 1995-04-18 US disclosed