SCHEMBL9705706

SCHEMBL9705706

O=C(NCCO)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
POLB P06746 1/20 0.67
HTT P42858 1/20 0.67
NTRK2 Q16620 1/20 0.49
TTR P02766 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B13 Q7Z5P4 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL13018868 0.84 POLB (0.53) HPGDPOLBHTTTTRNPC1
SCHEMBL14060463 0.82 HPGD (0.63) HPGDPOLBHTTNTRK2CA12
SCHEMBL3321012 0.82 NTRK2 (0.65) HPGDPOLBHTTNTRK2KMT2A
SCHEMBL6293010 0.81 FABP4 (0.64) HPGDPOLBHTTNTRK2GAA
SCHEMBL1669128 0.81 KDM4E (0.59) HPGDPOLBHTTNTRK2GAA
SCHEMBL9863129 0.81 HPGD (0.76) HPGDPOLBHTTNPC1GAA
SCHEMBL6290092 0.80 HPGD (1.00) HPGDPOLBHTTNPC1KMT2A
SCHEMBL18542445 0.79 NTRK2 (0.57) HPGDPOLBHTTNTRK2GAA
SCHEMBL5878629 0.79 HPGD (0.53) HPGDPOLBHTTNTRK2GAA
SCHEMBL9705957 0.78 NTRK2 (0.49) HPGDPOLBHTTNTRK2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4861791-A Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents STERLING DRUG INC. (US) 1989-08-29 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed