SCHEMBL5274646

SCHEMBL5274646

CCOC(=O)CN(N)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 6/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.33
PKM P14618 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
SCHEMBL1760327 0.79 CA12 (0.41) GAAMGAMSIMGAM2CA12
SCHEMBL3496977 0.79 GAA (0.52) GAAMGAMSIMGAM2CA12
SCHEMBL28014138 0.76
SCHEMBL288560 0.74
SCHEMBL2038374 0.73 CA12 (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL3632834 0.73
SCHEMBL10443028 0.73 CA12 (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL7719332 0.73 GAA (0.45) GAAMGAMSIMGAM2CA12
Hydrochloric Acid SCHEMBL11881268 0.72 CA12 (0.53) GAAMGAMSIMGAM2CA12
SCHEMBL5361760 0.72 GAA (0.54) GAAMGAMSIMGAM2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740588-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2007-01-10 EP disclosed
WO-2005116032-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2005-12-08 WO disclosed