SCHEMBL901479

SCHEMBL901479

CCN(CC)C(=O)C1CCCc2[nH]c3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.55
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL8595169 0.80 SIRT1 (0.50) SMN1; SMN2SIRT2SIRT1
SCHEMBL3258128 0.79 SIRT1 (0.63) SMN1; SMN2SIRT2SIRT1
SCHEMBL11848642 0.79 KDM4E (0.50) ALOX15SIRT2SIRT1
SCHEMBL8632140 0.77 SIRT2 (0.37) TSPOSIRT2SIRT1
SCHEMBL11844570 0.76 SIRT2 (0.43) TP53ALOX15SIRT2SIRT1
SCHEMBL11843108 0.75 KDM4E (0.48) LMNA
Sulfuric Acid SCHEMBL8592514 0.75 SIRT1 (0.57) SMN1; SMN2SIRT2SIRT1
SCHEMBL4763963 0.74 NR2E1 (0.52) LMNATP53ALOX15
SCHEMBL11835576 0.74 GABRA1 (0.44) SIRT2SIRT1
SCHEMBL8574636 0.74 SIRT2 (0.42) SIRT2SIRT1

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-2621544-A1 IN VIVO IMAGING METHOD FOR CANCER GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
WO-2012041953-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed