SCHEMBL6898173

SCHEMBL6898173

CC[C@H](O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
ACP3 P15309 1/20 0.51
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
GRM8 O00222 3/20 0.46
GRM6 O15303 3/20 0.46

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
SCHEMBL2509178 1.00 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2ATSHR
Acetic Acid SCHEMBL6905316 0.94 L3MBTL1 (0.59) L3MBTL1MEN1HPGDKMT2ATSHR
Benzaldehyde SCHEMBL10900745 0.88 MEN1 (0.53) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9158002 0.87 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9157996 0.87 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL2367944 0.86 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL1983563 0.86 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL19339253 0.86 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL2234292 0.85 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR
SCHEMBL9154689 0.85 L3MBTL1 (0.62) L3MBTL1MEN1HPGDKMT2ATSHR

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-1015441-B1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS UPJOHN CO (US) 2004-05-12 EP disclosed
US-6265604-B1 AS PROTEASE INHIBITOR USEFUL IN TREATING HUMANS INFECTED WITH THE HIV VIRUS PHARMACIA & UPJOHN COMPANY 2001-07-24 US disclosed
EP-1015441-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-05 EP disclosed
US-6077963-A Process to produce a protease inhibitor PHARMACIA & UPJOHN COMPANY (US) 2000-06-20 US disclosed
WO-1999012919-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-18 WO disclosed