SCHEMBL7693144

SCHEMBL7693144

COC(=O)NCC(=O)ONC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.38
TSHR P16473 5/20 0.35
CA12 O43570 4/20 0.34
CA2 P00918 3/20 0.34
CA14 Q9ULX7 2/20 0.34
HSD17B10 Q99714 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 3/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX2 P34913 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL9632175 0.80 TET2 (0.58) TET2RECQLEPHX1TSHRCA12
SCHEMBL11239491 0.77 GAA (0.43) TSHRHSD17B10ALDH1A1GAAMGAM
SCHEMBL5359048 0.74
SCHEMBL11522925 0.74 TSHR (0.50) RECQLEPHX1TSHRCA12CA2
SCHEMBL7765947 0.73
SCHEMBL293281 0.73
Hydrochloric Acid SCHEMBL5369239 0.73 EPHX1 (0.38) TET2RECQLEPHX1TSHRKDM4E
SCHEMBL28109178 0.73 ALDH1A1 (0.48) EPHX1TSHRCA12CA2CA14
SCHEMBL9404556 0.73 GAA (0.57) EPHX1TSHRHSD17B10ALDH1A1GAA
Hydrochloric Acid SCHEMBL9696846 0.71 EPHX1 (0.40) TET2RECQLEPHX1TSHRALDH1A1

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
WO-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 WO claimed
WO-2002057258-A1 CYCLO`D!AZEPANE DERIVATIVES WHICH ARE USED AS FARNESYLTRANSFERASE INHIBITORS AND METHOD FOR THE PREPARATION THEREOF LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed