SCHEMBL6203142

SCHEMBL6203142

CC(C)(C)OC(=O)ON1CCNCCCCCNCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.31
PARP1 P09874 1/20 0.31
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16673827 0.93 CA2 (0.32) CA2CHKAPARP1CTSKUSP2
SCHEMBL106664 0.93 USP2 (0.34) CA2CHKAHPGDPARP1CTSK
SCHEMBL2373613 0.82 HPGD (0.41) HPGDEPHX1CTSKUSP2SMN1; SMN2
SCHEMBL4434089 0.80 HPGD (0.39) HPGDEPHX1CTSKUSP2SMN1; SMN2
SCHEMBL4046200 0.78 L3MBTL3 (0.33) HPGDPARP1SMN1; SMN2
SCHEMBL4594886 0.78 GNAI3 (0.38)
SCHEMBL11889891 0.78 CYP1A2 (0.41)
SCHEMBL4658596 0.76 CHRM2 (0.33) HPGDSIGMAR1
SCHEMBL28055961 0.76 CA2 (0.33) CA2CHKAHPGDSIGMAR1
SCHEMBL5875153 0.75 CA2 (0.41) CA2CHKASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381392-A4 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORP (KR) 2005-03-23 EP disclosed
EP-1381392-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS Corporation (KR) 2004-01-21 EP disclosed
WO-2002085413-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORPORATION (KR) 2002-10-31 WO disclosed