SCHEMBL585955

SCHEMBL585955

CCOP(=O)(CC(=O)C1CCN(C(=O)OC(C)(C)C)C1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
TSHR P16473 1/20 0.39
STS P08842 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP30 Q70CQ3 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.37
GAA P10253 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
SCHEMBL585658 0.83 GAA (0.38) ALDH1A1MAPTTSHRHSD17B10KDM4E
SCHEMBL7987623 0.79 HPGD (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL586865 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL586866 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3751574 0.77 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2282810 0.77 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2391124 0.77 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL584306 0.77 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7423554 0.76 KDM4E (0.48) MAPTHPGDRECQLEPHX1KDM4E
SCHEMBL3787646 0.76 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1MAPTHPGD

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-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 WO disclosed