SCHEMBL8464883

SCHEMBL8464883

O=Ic1cc2c(OC(F)(F)F)cccc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GPR35 Q9HC97 2/20 0.39
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.37
RORC P51449 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL8464199 0.83 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL27364720 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8463164 0.81 GRIN2D (0.42) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8460317 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8462845 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8459474 0.79 GRIN2D (0.45) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8462722 0.77 GRIN2D (0.68) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8462125 0.76 GRIN2D (0.45) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8463690 0.76 GRIN2D (0.45) KDM4EALDH1A1HSD17B10HPGDGRIN2D
SCHEMBL8462874 0.76 GRIN2D (0.45) KDM4EALDH1A1HSD17B10HPGDGRIN2D

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