SCHEMBL7620005

SCHEMBL7620005

CCC(=O)OCC(C(O)OC)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PDE3A Q14432 1/20 0.43
HBB P68871 2/20 0.43
BLM P54132 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
USP2 O75604 1/20 0.42
PNP P00491 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 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
SCHEMBL5555699 0.90 HPRT1 (0.51) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL6840618 0.86 PDE3A (0.59) HPRT1MEN1KMT2APDE3AHBB
Hydrochloric Acid SCHEMBL5165704 0.85 HBB (0.58) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL5166552 0.84 MEN1 (0.54) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL7622544 0.84 HPRT1 (0.51) HPRT1MEN1KMT2APDE3AHBB
Hydrochloric Acid SCHEMBL6380562 0.79 HPRT1 (0.51) HPRT1MEN1KMT2AHBBBLM
Valine SCHEMBL8868227 0.78 PDE3A (0.51) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL8447480 0.76 MEN1 (0.69) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL5930380 0.76 TK1 (0.55) HPRT1MEN1KMT2APDE3AHBB
SCHEMBL19662078 0.75 HPRT1 (0.54) HPRT1MEN1KMT2AHBBBLM

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-0885224-B1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-12-18 EP disclosed