SCHEMBL8993972

SCHEMBL8993972

CC(C)(C)OC(=O)N1CCC(CNNCC2CCNCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
EPHX1 P07099 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
TGFBR1 P36897 4/20 0.44
RECQL P46063 1/20 0.44
NR1H2 P55055 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
KDM1A O60341 1/20 0.43
GLS O94925 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15000860 0.88 GNAI3 (0.51) KDM4EPKMEPHX1MAPTTHRB
SCHEMBL4038117 0.87 HPGD (0.49) KDM4EPKMEPHX1MAPTTHRB
Hydrochloric Acid SCHEMBL1532657 0.87 GNAI3 (0.53) KDM4EPKMEPHX1MAPTTHRB
SCHEMBL1532854 0.86 ITGB3 (0.55) KDM4EPKMHPGDGPR119
SCHEMBL27124589 0.84 HPGD (0.47) KDM4EPKMEPHX1MAPTTHRB
SCHEMBL8993970 0.84 HPGD (0.47) KDM4EPKMEPHX1MAPTTHRB
SCHEMBL5573225 0.84 KDM4E (0.63) KDM4EPKMEPHX1HPGDTGFBR1
Acetic Acid SCHEMBL31129712 0.83 KDM4E (0.48) KDM4EPKMEPHX1MAPTTHRB
Acetic Acid SCHEMBL31129570 0.83 KDM4E (0.48) KDM4EPKMEPHX1MAPTTHRB
SCHEMBL18921639 0.82 HPGD (0.51) KDM4EPKMEPHX1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed