SCHEMBL8463164

SCHEMBL8463164

O=Ic1cc2c(C(F)(F)F)cccc2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GPR35 Q9HC97 2/20 0.40
POLB P06746 1/20 0.39
GRIK1 P39086 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FABP4 P15090 1/20 0.37
SORT1 Q99523 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL8460562 0.82 MPL (0.35) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL24895079 0.81 GRIN2D (0.66) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8459474 0.81 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8464883 0.81 KDM4E (0.49) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8462722 0.79 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8462874 0.78 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8463690 0.78 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL24895089 0.78 GRIN2D (0.57) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL8462125 0.78 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL8463580 0.77 GRIN2D (0.42) GRIN2DGRIN2AGRIN2BGRIN2CGPR35

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