SCHEMBL7203316

SCHEMBL7203316

CN(C(=O)c1ccc(Cl)cc1)C1CCC(C#CCOS(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK2 Q15119 1/20 0.41
HSD11B1 P28845 2/20 0.39
HSD11B2 P80365 1/20 0.39
MCHR1 Q99705 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AGER Q15109 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 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
SCHEMBL27579928 0.85 LSS (0.62) LSSL3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL7203314 0.78 ERCC5 (0.37) LSSL3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL4801608 0.77 LSS (0.57) LSSL3MBTL1PDK2HSD11B1HSD11B2
SCHEMBL4801605 0.77 LSS (0.57) LSSL3MBTL1PDK2HSD11B1HSD11B2
SCHEMBL7204638 0.75 LSS (0.51) LSSSMN1; SMN2KMT2APOLBMAPT
SCHEMBL6019234 0.75 LSS (0.46) LSSL3MBTL1SMN1; SMN2POLBMAPT
SCHEMBL6019239 0.75 LSS (0.46) LSSL3MBTL1SMN1; SMN2POLBMAPT
SCHEMBL4804351 0.74 LSS (0.59) LSSL3MBTL1PDK2HSD11B1HSD11B2
SCHEMBL4804360 0.74 LSS (0.59) LSSL3MBTL1PDK2HSD11B1HSD11B2
SCHEMBL7202898 0.74 LSS (0.69) LSSL3MBTL1SMN1; SMN2MAPTLMNA

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
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed