SCHEMBL19100780

SCHEMBL19100780

CCCCOC(=O)N1CC(O)C(C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GBA2 Q9HCG7 1/20 0.42
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.35
DPP4 P27487 1/20 0.34
ATM Q13315 1/20 0.34
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
GBA1 P04062 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL18498621 0.85 LMNA (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL29609549 0.82 LMNA (0.54) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL3830737 0.78 JAK1 (0.39) POLBDPP4JAK1JAK2CHRNB2
SCHEMBL1633241 0.78 LMNA (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL1542778 0.78 LMNA (0.49) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL14034308 0.77 LMNA (0.48) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL14034326 0.77 LMNA (0.48) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL20605787 0.75 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL9596540 0.75 LMNA (0.47) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL3652718 0.75 LMNA (0.56) LMNAPOLBSMN1; SMN2GBA2ALDH1A1

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-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed