SCHEMBL7780345

SCHEMBL7780345

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.49
ELANE P08246 2/20 0.49
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPM1B O75688 1/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL7468648 0.85 KDM4E (0.67) ALDH1A1KDM4EELANEHPGDHSD17B10
SCHEMBL25513185 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL7778432 0.80 ELANE (0.48) ALDH1A1KDM4EELANEHPGDHSD17B10
SCHEMBL147211 0.78 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDCYP3A4TDP1
SCHEMBL7780229 0.77 ELANE (0.58) ALDH1A1KDM4EELANECA2HPGD
SCHEMBL7781084 0.77 ESR1 (0.49) ALDH1A1KDM4EELANEHPGDHSD17B10
SCHEMBL1743550 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EELANECYP3A4KMT2A
SCHEMBL714478 0.77 NR4A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL10794756 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EELANEHPGDHSD17B10
SCHEMBL1663492 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10IDO1

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