SCHEMBL7778432

SCHEMBL7778432

CC(C)CC(=O)Oc1ccc(C(=O)O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPM1B O75688 1/20 0.38
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
HIF1A Q16665 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
SCHEMBL7781084 0.83 ESR1 (0.49) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL25513185 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL7773613 0.81 CA2 (0.47) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7780345 0.80 ALDH1A1 (0.51) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7773552 0.78 KDM4E (0.54) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL7468648 0.78 KDM4E (0.67) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL31530754 0.78 ALDH1A1 (0.47) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL23318140 0.76 ALDH1A1 (0.47) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL10794756 0.76 ALDH1A1 (0.50) ELANEALDH1A1KDM4EALOX15HSD17B10
SCHEMBL17138144 0.74 ALDH1A1 (0.51) ELANEALDH1A1KDM4EALOX15CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed