SCHEMBL9637236

SCHEMBL9637236

O=C(O)Cc1c(I)cc(I)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.40
TTR P02766 1/20 0.40
GPR17 Q13304 1/20 0.40
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
PPARG P37231 3/20 0.37
RXRA P19793 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
TPMT P51580 1/20 0.34
KDM4E B2RXH2 5/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ERN1 O75460 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
SCHEMBL9637092 0.77 GPR17 (0.57) TTRGPR17THRATHRBPOLB
SCHEMBL30502430 0.76 TPMT (0.40) AKR1B1TTRGPR17THRATHRB
SCHEMBL19678481 0.76 TPMT (0.40) AKR1B1TTRGPR17THRATHRB
SCHEMBL699224 0.74 TTR (0.50) AKR1B1TTRTHRATHRBPPARG
SCHEMBL30129029 0.73 AKR1B1 (0.48) AKR1B1THRATHRBPPARGRXRA
SCHEMBL19678490 0.73 GPR17 (0.36) TTRGPR17THRATHRBPPARG
SCHEMBL6247495 0.73 LMNA (0.55) AKR1B1THRATHRBPPARGRXRA
SCHEMBL8824733 0.71 AKR1B1 (0.42) AKR1B1TPMTKDM4EPOLBHPGD
SCHEMBL18242830 0.71 TTR (0.43) TTRGPR17ERN1
SCHEMBL8462416 0.70 AKR1B1 (0.33) AKR1B1TTRGPR17THRATHRB

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