SCHEMBL9705789

SCHEMBL9705789

CC(CO)NC(=O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TTR P02766 1/20 0.44
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9668165 0.83 HPGD (0.51) TAS1R3TAS1R1HPGDGAAALDH1A1
SCHEMBL14627779 0.82 GRN (0.61) TAS1R3TAS1R1HPGDGAAALDH1A1
SCHEMBL13754417 0.82 GRN (0.61) TAS1R3TAS1R1HPGDGAAALDH1A1
SCHEMBL15631141 0.75 ACLY (0.48) TAS1R3TAS1R1GAAALDH1A1TTR
SCHEMBL13970564 0.74 GRN (0.43) TAS1R3TAS1R1HPGDGAAALDH1A1
SCHEMBL13753580 0.74 HPGD (0.72) HPGDALDH1A1NPC1KMT2AMEN1
SCHEMBL13021056 0.74 CA2 (0.44) GAATTRNPC1KMT2AMEN1
SCHEMBL17732590 0.73 ACLY (0.47) TAS1R3TAS1R1GAAALDH1A1TTR
SCHEMBL9705735 0.73 HPGD (0.54) HPGDGAAALDH1A1TTRNPC1
SCHEMBL9863174 0.73 BRD4 (0.46) GAAALDH1A1NPC1

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 5 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-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