SCHEMBL5774784

SCHEMBL5774784

CCOC(=O)Cc1ncccc1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10515633 0.88 MAPT (0.60) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL26099558 0.83 POLB (0.40) MAPTMAPK1L3MBTL1TSHRALDH1A1
SCHEMBL5778792 0.83 KDM4E (0.41) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL12179887 0.83 MAPT (0.56) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL2589045 0.82 MAPT (0.61) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL30177224 0.82 MAPT (0.61) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL31539439 0.81 MAPT (0.59) MAPTMAPK1L3MBTL1HTTTSHR
SCHEMBL10724543 0.81 L3MBTL1 (0.53) MAPTL3MBTL1TSHRALDH1A1HSD17B10
SCHEMBL7301123 0.79 POLB (0.41) MAPTL3MBTL1TSHRALDH1A1HSD17B10
SCHEMBL6988391 0.79 HTT (0.49) MAPTMAPK1L3MBTL1HTTTSHR

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-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed