SCHEMBL6130079

SCHEMBL6130079

O=C(O)CNC(CO)(CO)CO.[SnH2]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CTH P32929 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL8085461 0.97 HTT (0.35) LDHASRRHTTRAB9ACTH
SCHEMBL412337 0.97 LDHA (0.37) LDHASRRHTTRAB9ACTH
SCHEMBL42019 0.97 LDHA (0.37) LDHASRRHTTRAB9ACTH
SCHEMBL31553566 0.94 LDHA (0.35) LDHASRRHTTRAB9ACTH
Hydrochloric Acid SCHEMBL4920306 0.94 RAB9A (0.36) LDHASRRHTTRAB9ACTH
Ammonia Solution, Strong SCHEMBL23014704 0.94 LDHA (0.35) LDHASRRHTTRAB9ACTH
Hydrochloric Acid SCHEMBL29059552 0.94 RAB9A (0.36) LDHASRRHTTRAB9ACTH
SCHEMBL3911509 0.94 LDHA (0.35) LDHASRRHTTRAB9ACTH
SCHEMBL10490033 0.94 LDHA (0.35) LDHASRRHTTRAB9ACTH
SCHEMBL29973268 0.94 LDHA (0.35) LDHASRRHTTRAB9ACTH

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-1381839-A4 METHOD OF IMAGING CELL DEATH IN VIVO UNIV LELAND STANFORD JUNIOR (US) 2005-10-12 EP disclosed
US-20040170603-A1 Method of imaging cell death in vivo THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-09-02 US disclosed
US-6726895-B2 TUMOR RADIOTHERAPY BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-04-27 US disclosed
EP-1381839-A2 METHOD OF IMAGING CELL DEATH IN VIVO THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-01-21 EP disclosed
US-20030003047-A1 Method of imaging cell death in vivo THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-01-02 US disclosed
WO-2002082044-A2 METHOD OF IMAGING CELL DEATH IN VIVO THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-10-17 WO disclosed