SCHEMBL20206992

SCHEMBL20206992

CC(C)(NCCCCC/C=C/CC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.46
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20206934 0.99 DUT (0.45) DUTPOLBKMT2A
SCHEMBL20206994 0.97 DUT (0.46) DUTPOLBKMT2A
SCHEMBL20206935 0.88 DUT (0.50) DUTPOLBKMT2A
SCHEMBL21315543 0.86 DUT (0.60) DUT
SCHEMBL21315536 0.84 DUT (0.58) DUT
SCHEMBL20191198 0.84 DUT (0.58) DUT
SCHEMBL21315540 0.82 DUT (0.55) DUT
SCHEMBL20190459 0.82 DUT (0.55) DUT
SCHEMBL20207648 0.82 DUT (0.47) DUT
SCHEMBL20201858 0.82 DUT (0.47) DUT

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
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed