SCHEMBL9016334

SCHEMBL9016334

CC(=O)COC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.33
PTPRB P23467 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL6361849 0.89 LMNA (0.51) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL370072 0.87 LMNA (0.50) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL332859 0.85 LMNA (0.54) LMNASMN1; SMN2ALDH1A1TSHRHPGD
Ethyl Cartrizoate SCHEMBL2110540 0.84 LMNA (0.47) LMNASMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL8230945 0.83 LMNA (0.53) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL9016363 0.83 LMNA (0.46) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL1665843 0.83 LMNA (0.46) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL9413528 0.82 LMNA (0.45) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL333132 0.82 LMNA (0.45) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9413518 0.82 LMNA (0.45) LMNASMN1; SMN2ALDH1A1TSHRHPGD

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-0749414-A1 IODINATED AROYLOXY KETONES NanoSystems L.L.C. (US) 1996-12-27 EP claimed
US-5488133-A X-RAY CONTRAST AGENTS EASTMAN KODAK COMPANY (US) 1996-01-30 US claimed
WO-1995024378-A1 IODINATED AROYLOXY KETONES NANOSYSTEMS, L.L.C. (US) 1995-09-14 WO claimed
EP-0749414-A1 IODINATED AROYLOXY KETONES NanoSystems L.L.C. (US) 1996-12-27 EP disclosed
US-5488133-A X-RAY CONTRAST AGENTS EASTMAN KODAK COMPANY (US) 1996-01-30 US disclosed
WO-1995024378-A1 IODINATED AROYLOXY KETONES NANOSYSTEMS, L.L.C. (US) 1995-09-14 WO disclosed