SCHEMBL18677679

SCHEMBL18677679

CNC(=O)C(C)(C)CC(C)(C)C(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
EPHX1 P07099 2/20 0.39
DUT P33316 1/20 0.32
DPP4 P27487 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL13918257 0.87 POLB (0.46) POLBEPHX1DUTDPP4HTT
SCHEMBL18677728 0.85 EPHX1 (0.44) POLBEPHX1DUTDPP4HTT
SCHEMBL20635863 0.84 POLB (0.44) POLBEPHX1DUTDPP4HTT
SCHEMBL12949585 0.83 POLB (0.31) POLBDPP4
SCHEMBL14877799 0.82
SCHEMBL18677681 0.82 POLB (0.37) POLBEPHX1HTTMEN1MAPT
SCHEMBL25064237 0.80 POLB (0.37) POLBEPHX1
SCHEMBL8279456 0.79 POLB (0.43) POLBEPHX1DUTHTTSMN1; SMN2
SCHEMBL13918255 0.78 POLB (0.40) POLBEPHX1DUTDPP4HTT
SCHEMBL18677700 0.78 POLB (0.34) POLBEPHX1HTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637705-B1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING S COLLEGE LONDON (GB) 2017-03-29 EP disclosed