SCHEMBL8460917

SCHEMBL8460917

COc1cccc2c(I=O)c(C(=O)O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 3/20 0.45
PLK1 P53350 1/20 0.44
HTT P42858 2/20 0.44
HPGDS O60760 1/20 0.43
PDE10A Q9Y233 1/20 0.43
FABP4 P15090 1/20 0.42
MAPT P10636 4/20 0.42

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
SCHEMBL8459854 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL8461495 0.80 CNR2 (0.44) ALDH1A1KDM4EHPGDCYP2C9KMT2A
SCHEMBL8464392 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL8967035 0.80 CDC25B (0.56) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8966935 0.80 CDC25B (0.56) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4103770 0.79 CDC25B (0.68) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8464024 0.78 CDC25B (0.47) CDC25BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8459358 0.76 PRNP (0.53) CDC25BALDH1A1KDM4EFABP4MEN1
SCHEMBL8464827 0.76 ALB (0.44) CDC25BALDH1A1FABP4
SCHEMBL8463308 0.76 TSHR (0.46) ALDH1A1KDM4EHPGDHSD17B10CYP2C9

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