SCHEMBL8464249

SCHEMBL8464249

O=C(O)Cc1cc(I)cc(I)c1I(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
TTR P02766 1/20 0.31
GPR17 Q13304 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.31
HSD17B10 Q99714 1/20 0.30
SRC P12931 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
SCHEMBL8463501 0.91 AKR1B1 (0.36) AKR1B1MAPTALOX15SMN1; SMN2HPGD
SCHEMBL19678481 0.77 TPMT (0.40) AKR1B1TTRGPR17MAPTALOX15
SCHEMBL30502430 0.77 TPMT (0.40) AKR1B1TTRGPR17MAPTALOX15
SCHEMBL8464252 0.76 TPMT (0.33) AKR1B1MEN1KMT2A
SCHEMBL699224 0.76 TTR (0.50) AKR1B1TTRMAPTSMN1; SMN2ITGB3
SCHEMBL8461130 0.75 AKR1B1 (0.46) AKR1B1TTRMAPTTHRBHPGD
SCHEMBL8464341 0.73 POLB (0.50) AKR1B1MAPTHPGDTSHRMEN1
SCHEMBL8463313 0.72 MAOB (0.41) TTRGPR17ALOX15
SCHEMBL8459629 0.72 HPGD (0.44) AKR1B1MAPTALOX15SMN1; SMN2HPGD
SCHEMBL8462903 0.72 AKR1B1 (0.36) AKR1B1MAPTALOX15THRBMEN1

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
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed