SCHEMBL6235331

SCHEMBL6235331

CC(O)C(=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NC(CO)CO)c1I

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 7/20 0.33
MAP2K2 P36507 2/20 0.33
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ROCK2 O75116 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL14777479 0.85 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL2531522 0.84 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3382609 0.84 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9118888 0.83 LMNA (0.62) LMNACYP2C19HIF1A
SCHEMBL622562 0.81 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
Iofratol SCHEMBL3148360 0.81 LMNA (0.83) LMNACYP2C19HIF1AEGFRSRC
Iofratol SCHEMBL381161 0.81 LMNA (0.83) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9526337 0.79 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8978095 0.79 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9761063 0.79 LMNA (0.46) LMNACYP2C19HIF1AEGFRSRC

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-0883597-B1 PROCESS FOR THE PURIFICATION OF AN AMINOALCOHOL BRACCO IMAGING SPA (IT) 2005-06-01 EP disclosed
US-5866719-A Process for the purification of an aminoalcohol DIBRA S.P.A. (IT) 1999-02-02 US disclosed