SCHEMBL8463512

SCHEMBL8463512

O=Ic1c(C(=O)O)cc(I)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43
PTPRB P23467 1/20 0.43
PTPRE P23469 1/20 0.43
PTPN6 P29350 1/20 0.43
MAOB P27338 1/20 0.37
TPMT P51580 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
GRIK1 P39086 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8462757 0.90 MAOB (0.41) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8460634 0.79 CA1 (0.46) PTPN1ALDH1A1TSHRTP53CASP1
SCHEMBL8463706 0.77 AKR1C3 (0.52) ALDH1A1TP53CA1CA2MEN1
SCHEMBL8461036 0.77 KEAP1 (0.50) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL8461055 0.77 KDM4E (0.50) TPMTALDH1A1MEN1KMT2ATDP1
SCHEMBL8462221 0.77 ALDH1A1 (0.54) TPMTALDH1A1TSHRTP53CASP1
SCHEMBL8463842 0.75 TPMT (0.52) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8461103 0.74 AKR1C3 (0.46) CA5A
SCHEMBL8464730 0.74 TPMT (0.41) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8461032 0.74 TSHR (0.38) PTPRCPTPN2PTPN1PTPRAPTPRB

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