SCHEMBL9637089

SCHEMBL9637089

CC(C(=O)O)c1c(I)cc(I)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
PTGS2 P35354 10/20 0.35
PTGS1 P23219 9/20 0.34
CXCR1 P25024 4/20 0.34
CXCR2 P25025 4/20 0.34
LMNA P02545 3/20 0.34
SLC22A6 Q4U2R8 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PMP22 Q01453 2/20 0.34
CXCL8 P10145 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 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
SCHEMBL9696073 0.75 LMNA (0.49) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3179347 0.72 AKR1C3 (0.36) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL18242674 0.72 TTR (0.43) TTRGABRA1GABRB1GABRB2
SCHEMBL28713389 0.71 TTR (0.48) TTRGABRA1GABRB1GABRB2
SCHEMBL21582163 0.70 LCK (0.40) PTGS2PTGS1SLC22A6ALDH1A1HPGD
SCHEMBL1741372 0.70 PTGS2 (0.44) TTRPTGS2PTGS1CXCR1CXCR2
SCHEMBL4754404 0.69 LMNA (0.37) TTRPTGS2LMNAMAPTALDH1A1
SCHEMBL462541 0.67 PTGS2 (0.61) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL6399236 0.67 PTGS2 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL7146446 0.67 PTGS2 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA

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
US-5160725-A Contrast agent for diagnostic imaging, polyethylene glycol phosphates and carboxylates as stabilizers SILICA GEL GESELLSCHAFT MBH ADSORPTIONS-TECHNIK, APPARATEBAU (DE) 1992-11-03 US claimed
EP-0284549-B1 MAGNETIC FLUID COMPOSITIONS Silica Gel Ges.mbH Absorptionstechnik, Apparatebau (DE) 1992-07-15 EP claimed
US-5160725-A Contrast agent for diagnostic imaging, polyethylene glycol phosphates and carboxylates as stabilizers SILICA GEL GESELLSCHAFT MBH ADSORPTIONS-TECHNIK, APPARATEBAU (DE) 1992-11-03 US disclosed