SCHEMBL20188079

SCHEMBL20188079

CC(=O)OCCOCCS(=O)(=O)NCCc1cccc(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 6/20 0.47
▸ MTNR1A P48039 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ACACB O00763 2/20 0.40
▸ ACACA Q13085 2/20 0.40
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL20190349 0.88 DUT (0.49) DUTMTNR1ANPC1RAB9AKDM5A
SCHEMBL22723246 0.81 DUT (0.57) DUTACACBACACA
SCHEMBL22723247 0.81 DUT (0.57) DUTACACBACACA
SCHEMBL20188108 0.76 DUT (0.45) DUTMTNR1ACYP2D6KCNH2
SCHEMBL20188045 0.76 DUT (0.51) DUTMTNR1ANPC1RAB9AAKR1C3
SCHEMBL20191169 0.73 DUT (0.59) DUT
SCHEMBL20187896 0.72 DUT (0.50) DUTMTNR1AACACBACACAKDM5A
SCHEMBL1409587 0.71 CHRM2 (0.60) ACACBACACAKDM5AKDM4C
SCHEMBL1408705 0.71 DUT (0.65) DUT
SCHEMBL13606412 0.71 DUT (0.62) DUTKDM5AKDM4CNAMPT

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
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