SCHEMBL4078697

SCHEMBL4078697

CCCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1CO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 1/20 0.41
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ECE1 P42892 1/20 0.32
PPM1D O15297 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
SCHEMBL9595391 0.88 LMNA (0.36) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL9595131 0.88 GBA2 (0.34) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL22980252 0.84 GBA2 (0.36) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL9595806 0.84 GBA2 (0.36) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL8113961 0.82 GBA2 (0.35) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL9595393 0.82 GBA2 (0.35) GBA2LMNAPOLBSMN1; SMN2ECE1
SCHEMBL20312947 0.82 NR1H2 (0.42) SMN1; SMN2
SCHEMBL21286125 0.82 NR1H2 (0.42) SMN1; SMN2
SCHEMBL19964151 0.82 NR1H2 (0.42) SMN1; SMN2
SCHEMBL139880 0.82 NR1H2 (0.42) SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed