SCHEMBL5201034

SCHEMBL5201034

CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C.Cc1cc(Br)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.38
LCK P06239 2/20 0.38
CALCA P06881 1/20 0.36
PTPRC P08575 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
LATS1 O95835 1/20 0.35
CYP3A4 P08684 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL10367814 0.85 MTNR1A (0.38) VSIRCALCAPTPRCALDH1A1GLA
SCHEMBL5004498 0.81 ALDH1A1 (0.36) VSIRCALCAPTPRCALDH1A1GLA
SCHEMBL783009 0.76 CA2 (0.41) VSIRPTPRCLATS1L3MBTL1
SCHEMBL10367555 0.75 APP (0.36) VSIRPTPRCALDH1A1GLALATS1
SCHEMBL3409876 0.73 VSIR (0.46) VSIRPTPRCALDH1A1GLALATS1
SCHEMBL21174082 0.73 LCK (0.37) LCKALDH1A1MAPTL3MBTL1
SCHEMBL23467642 0.73 LCK (0.48) LCKMAPTAAK1
SCHEMBL23575853 0.72 MTNR1A (0.44) VSIRALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL14238298 0.71 PYCR1 (0.44) ALDH1A1MAPT
SCHEMBL23705584 0.71 VSIR (0.43) VSIRALDH1A1CYP3A4MAPT

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
EP-1848466-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-31 EP disclosed
WO-2006080022-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 WO disclosed