SCHEMBL5690916

SCHEMBL5690916

OCC(O)COCC(I)=C(I)I

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 3/20 0.32
KDM4E B2RXH2 2/20 0.32
AGTR1 P30556 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL5691163 0.91 USP2 (0.42) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691093 0.86 USP2 (0.39) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691091 0.86 USP2 (0.39) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691881 0.84 USP2 (0.38) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691886 0.84 USP2 (0.38) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691114 0.77 USP2 (0.39) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL1638881 0.74 LMNA (0.53) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL30754 0.74 LMNA (0.53) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691068 0.74 USP2 (0.37) USP2LMNAALDH1A1CYP1A2KDM4E
SCHEMBL5691072 0.74 USP2 (0.37) USP2LMNAALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084712-B1 X-ray contrast agents AMERSHAM HEALTH AS (NO) 2006-03-22 EP disclosed
US-6406680-B1 IODINE CONTAINING OLEFINS AS CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2002-06-18 US disclosed
EP-1084712-A2 X-ray contrast agents NYCOMED IMAGING AS (NO) 2001-03-21 EP disclosed