SCHEMBL9282186

SCHEMBL9282186

CC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
Bromide SCHEMBL6428393 0.99 SETD7 (0.43) SETD7USP2SMN1; SMN2NR1H2HPGD
SCHEMBL4336794 0.87 SETD7 (0.52) SETD7USP2SMN1; SMN2NR1H2HPGD
SCHEMBL27622979 0.84 PARP1 (0.39) SETD7USP2SMN1; SMN2NR1H2HPGD
SCHEMBL2220355 0.83 USP2 (0.56) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL132585 0.83 USP2 (0.56) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL17297711 0.82 USP2 (0.55) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL587550 0.82 USP2 (0.58) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL12005408 0.82 USP2 (0.58) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL8286 0.82 USP2 (0.58) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL1225127 0.82 USP2 (0.58) USP2SMN1; SMN2NR1H2HPGDEPHX2

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-2547369-B1 A NANOPARTICLE COMPRISING A MICELLE FORMED BY AN AMPHIPHILIC BLOCK-COPOLYMER AND ENCAPSULATING A GADOLINIUM COMPLEX UNIV KING SAUD (SA) 2017-04-19 EP claimed
WO-1995001346-A1 CHELATING COMPOUNDS AKZO NOBEL N.V. (NL) 1995-01-12 WO disclosed