SCHEMBL18465656

SCHEMBL18465656

COC(=O)C1CCN(CC(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27365079 0.84 ALDH1A1 (0.55) ALDH1A1TP53SMN1; SMN2GAAMAPT
SCHEMBL14639021 0.84 ALDH1A1 (0.55) ALDH1A1TP53SMN1; SMN2GAAMAPT
Hydrochloric Acid SCHEMBL1371669 0.82 ALDH1A1 (0.54) ALDH1A1TP53SMN1; SMN2GAAMAPT
SCHEMBL31075110 0.81 HRH3 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL10516690 0.79 SMN1; SMN2 (0.60) ALDH1A1TP53SMN1; SMN2GAAMAPT
SCHEMBL14067030 0.79 TP53 (0.55) ALDH1A1TP53SMN1; SMN2GAAMAPT
SCHEMBL12437051 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL19488417 0.79 SMN1; SMN2 (0.53) ALDH1A1TP53SMN1; SMN2GAAMAPT
SCHEMBL24577905 0.78 KDM4E (0.47) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL9912438 0.77 KDM4E (0.50) SMN1; SMN2GAAKDM4EPOLBPKM

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
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
US-9562003-B2 Methods of using substituted tetracycline compounds to modulate RNA PARATEK PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed