SCHEMBL1126496

SCHEMBL1126496

CCOC(=O)C(=NO)C(=O)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MAPT P10636 4/20 0.36
RECQL P46063 1/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 5/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8545561 0.89 MAPT (0.40) MAPTRECQLALDH1A1GAARAB9A
SCHEMBL8545559 0.89 MAPT (0.40) MAPTRECQLALDH1A1GAARAB9A
SCHEMBL30999026 0.85 ALDH1A1 (0.38) MAPTALDH1A1GAARAB9APOLB
SCHEMBL3940169 0.83 TSHR (0.43) TSHRMAPTRECQLALDH1A1GAA
SCHEMBL17075159 0.73 TSHR (0.41) TSHRMAPTRECQLALDH1A1GAA
SCHEMBL30420160 0.73 ALDH1A1 (0.40) MAPTRECQLALDH1A1GAARAB9A
SCHEMBL22213865 0.73 ALDH1A1 (0.40) MAPTRECQLALDH1A1GAARAB9A
SCHEMBL2914885 0.73 ALDH1A1 (0.46) TSHRMAPTALDH1A1GAALMNA
SCHEMBL72855 0.72 MAPT (0.51) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL16059991 0.71 TSHR (0.39) TSHRMAPTRECQLALDH1A1GAA

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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed