SCHEMBL20201992

SCHEMBL20201992

CC[C@@H](NCCCCCCCN1CC(=O)NC1=O)c1cc(OCC2CC2)co1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 18/20 0.56
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 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
SCHEMBL22751247 0.86 DUT (0.73) DUT
SCHEMBL22751466 0.79 DUT (0.66) DUT
SCHEMBL20201788 0.76 DUT (0.52) DUT
SCHEMBL20207823 0.74 DUT (0.51) DUT
SCHEMBL20207641 0.74 DUT (0.55) DUT
SCHEMBL22751458 0.74 DUT (0.73) DUT
SCHEMBL22751429 0.73 DUT (0.72) DUT
SCHEMBL20201652 0.73 DUT (0.48) DUT
SCHEMBL20188242 0.72 DUT (1.00) DUT
SCHEMBL22751380 0.72 DUT (0.55) 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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed