SCHEMBL7277448

SCHEMBL7277448

CC(C)C[C@H](NCCN1CCOCC1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CTSS P25774 2/20 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
SCHEMBL8181698 0.87 ALDH1A1 (0.50) GAATSHRMAPTTDP1SMN1; SMN2
SCHEMBL30394130 0.83 GAA (0.49) GAATSHRMAPTTDP1SMN1; SMN2
SCHEMBL8843457 0.78 GAA (0.41) GAATSHRMAPTTDP1SMN1; SMN2
SCHEMBL10448449 0.77 CNR2 (0.52) GAATSHRMAPTTDP1SMN1; SMN2
SCHEMBL12310327 0.77 TSHR (0.58) GAATSHRMAPTTDP1MMP3
SCHEMBL7277453 0.77 TSHR (0.58) GAATSHRMAPTTDP1MMP3
SCHEMBL7287015 0.76 TACR2 (0.54) ALDH1A1LMNA
SCHEMBL28927539 0.75 ALDH1A1 (0.51) TSHRTDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27560979 0.74 MMP9 (0.52) TSHRMAPTTDP1MMP3MMP9
SCHEMBL10266645 0.74 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNA

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-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP disclosed