SCHEMBL8460562

SCHEMBL8460562

O=Ic1cc2c(C(F)(F)F)c(C(F)(F)F)ccc2cc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.35
GPR35 Q9HC97 2/20 0.34
ASPH Q12797 1/20 0.34
EPRS1 P07814 1/20 0.33
CES2 O00748 1/20 0.33
DHODH Q02127 1/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SORT1 Q99523 4/20 0.32
RXRA P19793 1/20 0.31

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
SCHEMBL8463164 0.82 GRIN2D (0.42) MPLGPR35DHODHPOLBAKR1C3
SCHEMBL8462693 0.78 MPL (0.38) MPLGPR35ASPHEPRS1CES2
SCHEMBL8464099 0.74 ASPH (0.46) ASPHCES2NOTUMAKR1C3AKR1C2
SCHEMBL8461015 0.74 GPR35 (0.37) GPR35CES2POLBAKR1C2GRIN2D
SCHEMBL8464883 0.71 KDM4E (0.49) GPR35DHODHPOLBGRIN2DGRIN2A
SCHEMBL8459474 0.71 GRIN2D (0.45) GPR35POLBNOTUMGRIN2DGRIN2A
SCHEMBL8462722 0.69 GRIN2D (0.68) GPR35POLBGRIN2DGRIN2AGRIN2B
SCHEMBL4647359 0.68 ALDH1A1 (0.43) ASPHCES2NOTUMKDM4EALDH1A1
SCHEMBL8463690 0.68 GRIN2D (0.45) GPR35POLBNOTUMGRIN2DGRIN2A
SCHEMBL8462125 0.68 GRIN2D (0.45) GPR35POLBGRIN2DGRIN2AGRIN2B

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