SCHEMBL7329621

SCHEMBL7329621

CC(C)N(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A4 P31645 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 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
SCHEMBL2390989 0.78 MAPT (0.55) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL2390983 0.78 MAPT (0.55) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL29401387 0.78 MAPT (0.55) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL18412616 0.77 MGLL (0.53) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL7308415 0.77 MGLL (0.53) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL24058871 0.75 MGLL (0.52) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL19871006 0.75 MGLL (0.52) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL7341887 0.75 MAPT (0.64) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL27548338 0.75 GAA (0.50) GAAALDH1A1SMN1; SMN2MGLLMAPT
SCHEMBL19668455 0.75 MAPT (0.64) GAAALDH1A1SMN1; SMN2MGLLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5631376-A PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
US-5621109-A OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1997-04-15 US disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 EP disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed