SCHEMBL8460487

SCHEMBL8460487

CC(=O)c1cccc2cc(C(=O)O)c(I(=O)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDC25B P30305 3/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8462734 0.84 GRIN2D (0.46) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL8462678 0.81 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL8464770 0.80 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL8464339 0.80 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL8463162 0.80 GRIN2D (0.45) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL38662473 0.80 KDM4E (0.55) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL11586254 0.80 KDM4E (0.55) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL8463776 0.79 KDM4E (0.71) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL30017317 0.78 KDM4E (0.57) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL10391094 0.78 KDM4E (0.57) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1

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