SCHEMBL16622735

SCHEMBL16622735

CCCCOC(=O)N1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
BCHE P06276 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 6/20 0.35

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
SCHEMBL10985718 0.84 TSHR (0.40) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL2911507 0.79 MMP3 (0.40) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL112600 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL10992964 0.77 ALDH1A1 (0.40) SMN1; SMN2LMNAPOLBALDH1A1ATM
Hydrochloric Acid SCHEMBL10956630 0.77 MMP3 (0.39) SMN1; SMN2POLBALDH1A1ATMHPGD
SCHEMBL18760256 0.76 POLB (0.63) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL17017 0.76 POLB (0.63) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL5820669 0.76 POLB (0.63) SMN1; SMN2LMNAPOLBALDH1A1ATM
SCHEMBL4082478 0.75 POLB (0.61) SMN1; SMN2LMNAPOLBALDH1A1ATM
Hydrochloric Acid SCHEMBL1111003 0.75 POLB (0.61) SMN1; SMN2LMNAPOLBALDH1A1ATM

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-2873665-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-05-20 EP disclosed
EP-2857394-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-04-08 EP disclosed