SCHEMBL1925448

SCHEMBL1925448

CC(=O)Oc1c(N)cccc1C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 1/20 0.37
GLA P06280 1/20 0.36
CFTR P13569 1/20 0.36
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1925752 0.81 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4EHPGDMAPK1
SCHEMBL4670270 0.75 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EHPGDCFTR
SCHEMBL7163203 0.75 HSD17B10 (0.67) HSD17B10ALDH1A1KDM4EHPGDMAPK1
SCHEMBL1187297 0.74 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EHPGDCFTR
SCHEMBL1186269 0.71 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EHPGDCFTR
SCHEMBL30733867 0.71 ATM (0.42) HSD17B10ALDH1A1KDM4EHPGDELANE
SCHEMBL22978782 0.70 NAPRT (0.50) HSD17B10ALDH1A1KDM4EHPGDNAPRT
SCHEMBL30162701 0.70 ALDH1A1 (0.48) HSD17B10ALDH1A1KDM4EHPGDELANE
SCHEMBL25142572 0.70 HSD17B10 (0.45) HSD17B10ALDH1A1KDM4ECFTRCYP3A4
SCHEMBL27770533 0.69 GRM6 (0.41) HSD17B10ALDH1A1KDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 EP disclosed
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
WO-2011071951-A2 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed