SCHEMBL27550910

SCHEMBL27550910

CCOC(=O)[C@H]1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL1417951 1.00 MAPT (0.42) MAPTPKMKDM4EHSD17B10CYP1A2
SCHEMBL7189528 1.00 MAPT (0.42) MAPTPKMKDM4EHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL4283062 0.98 MAPT (0.44) MAPTPKMKDM4EHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL2920606 0.98 MAPT (0.44) MAPTPKMKDM4EHSD17B10CYP1A2
Acetic Acid SCHEMBL6729875 0.95 MAPT (0.43) MAPTPKMKDM4EHSD17B10CYP1A2
Chloroacetic Acid SCHEMBL27424329 0.90 MAPT (0.40) MAPTPKMKDM4EHSD17B10CYP1A2
SCHEMBL27619781 0.89 MAPT (0.40) MAPTPKMKDM4EHSD17B10CYP1A2
Trifluoroacetic Acid SCHEMBL8561671 0.89 MAPT (0.39) MAPTPKMKDM4EHSD17B10CYP1A2
SCHEMBL1951212 0.87 PPM1B (0.37) MAPTPKMPPM1BPTPN1PPP1CC
SCHEMBL22122711 0.86 SOAT1 (0.45) MAPTPKMKDM4EHSD17B10CYP1A2

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
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN claimed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed