SCHEMBL6237107

SCHEMBL6237107

C#C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP4 P27487 1/20 0.32
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 1/20 0.32
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C3 P42330 1/20 0.31
MMP2 P08253 1/20 0.31
PRCP P42785 2/20 0.30
KCNH2 Q12809 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20640265 0.78 AGTR2 (0.44) L3MBTL3L3MBTL1SMN1; SMN2DPP4MMP1
SCHEMBL18952926 0.75 ACHE (0.34) L3MBTL3L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25201049 0.71 CA12 (0.36) TSHR
SCHEMBL18344965 0.71 CA12 (0.36) TSHR
SCHEMBL18344966 0.71 CA12 (0.36) TSHR
SCHEMBL6232959 0.71 ATM (0.40) DPP4
SCHEMBL31298379 0.71 ATM (0.40) DPP4
SCHEMBL6238139 0.71 ATM (0.40) DPP4
SCHEMBL6235358 0.71 ATM (0.40) DPP4
SCHEMBL31298446 0.71 ATM (0.40) DPP4

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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed