SCHEMBL8460838

SCHEMBL8460838

Cc1cc(C)c(I(=O)=O)c(OP(=O)(O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.45
INPPL1 O15357 10/20 0.39
INPP5A Q14642 6/20 0.38
AKT1 P31749 1/20 0.37
INPP5B P32019 2/20 0.36
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 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
SCHEMBL8460203 0.78 SRC (0.38) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL8461043 0.76 SRC (0.45) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL8388017 0.75 SRC (0.60) SRCINPPL1INPP5AAKT1INPP5B
Phosphoric Acid SCHEMBL8460843 0.73 PGK1 (0.37) PGK1PGK2
SCHEMBL8463823 0.72 INPPL1 (0.45) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL28177118 0.68 INPPL1 (0.54) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL5074713 0.67 SRC (0.66) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL14732755 0.67 INPPL1 (0.65) SRCINPPL1INPP5AINPP5B
Phosphoric Acid SCHEMBL27473337 0.67 INPPL1 (0.52) SRCINPPL1INPP5AAKT1INPP5B
SCHEMBL20135781 0.66 SRC (0.62) SRCINPPL1INPP5AAKT1INPP5B

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