SCHEMBL8719295

SCHEMBL8719295

COC(=O)CN1CCN(CC(=O)OC)CCN(N(C(C)=O)c2ccc(NC(=O)CN)cc2)CCN(CC(=O)OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 7/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
KCNA5 P22460 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8724174 0.92 POLB (0.42) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL8722456 0.83 RAD52 (0.37) POLBMAPTALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL8719317 0.82 RAD52 (0.36) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL8722985 0.82 S1PR1 (0.43) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL8722938 0.81 AAK1 (0.40) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL8930541 0.72 MAPT (0.33) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL8724171 0.72 RAD52 (0.34) POLBMAPTALDH1A1
SCHEMBL4581605 0.72 MAPT (0.42) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL4581596 0.70 SLC6A9 (0.39) MAPTALDH1A1LMNA
SCHEMBL4581496 0.69 MAPT (0.42) POLBMAPTALDH1A1LMNAMEN1

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-0814849-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO International B.V. (NL) 1998-01-07 EP disclosed