SCHEMBL28280294

SCHEMBL28280294

CC(O)C(C(=O)O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
DPP7 Q9UHL4 1/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
FDPS P14324 2/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
MAOB P27338 1/20 0.34
CHRNB2 P17787 4/20 0.33

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
SCHEMBL4936117 0.89 RAB9A (0.62) RAB9ADPP7GAALMNAFDPS
SCHEMBL4936105 0.89 RAB9A (0.62) RAB9ADPP7GAALMNAFDPS
SCHEMBL4940630 0.86 RAB9A (0.64) RAB9ADPP7GAALMNATP53
SCHEMBL4940641 0.86 RAB9A (0.64) RAB9ADPP7GAALMNATP53
SCHEMBL26986914 0.84 DPP7 (0.48) RAB9ADPP7GAALMNAFDPS
SCHEMBL1503488 0.81 DPP7 (0.48) RAB9ADPP7GAALMNAFDPS
SCHEMBL472306 0.80 DPP7 (0.42) RAB9ADPP7GAALMNAFDPS
SCHEMBL28912998 0.79 RAB9A (0.47) RAB9ATP53SMN1; SMN2KMT2AMEN1
SCHEMBL28679629 0.79 RAB9A (0.47) RAB9ADPP7TP53FDPSKMT2A
SCHEMBL28676131 0.79 RAB9A (0.47) RAB9ADPP7TP53FDPSKMT2A

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
CN-108138177-B The combination of Dbait molecule and PARP inhibitor is used for the purposes for the treatment of cancer 法国居里学院 2019-03-19 CN disclosed