SCHEMBL28039739

SCHEMBL28039739

CC1CCCN(OC(=O)CC(N)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 4/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7234663 0.78 ALDH1A1 (0.43) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL27698740 0.73 ALDH1A1 (0.40) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL15224143 0.73 ALDH1A1 (0.65) POLBALDH1A1LMNAMEN1MAPT
Hydrochloric Acid SCHEMBL28813665 0.73 ALDH1A1 (0.40) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL7762978 0.72 HPGD (0.63) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL771653 0.70
SCHEMBL26433884 0.69 L3MBTL1 (0.52) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL15014507 0.69 L3MBTL1 (0.52) POLBALDH1A1LMNAMEN1MAPT
SCHEMBL15158187 0.68 HSD11B1 (0.42) KMT2AL3MBTL1
SCHEMBL27980793 0.68 CHRNB2 (0.50) ALDH1A1LMNAMEN1MAPTKMT2A

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-105408331-A Triazolopyridines as thrombin inhibitors for the treatment of thromboembolic disorders Bayer Pharma AG 2016-03-16 CN disclosed