SCHEMBL8746385

SCHEMBL8746385

CCOC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
MAPT P10636 4/20 0.50
EPHX1 P07099 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
CACNA1D Q01668 1/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL27083890 1.00 TSHR (0.67) TSHRMAPTEPHX1ADORA3ALDH1A1
SCHEMBL8942583 0.85 TSHR (0.62) TSHRMAPTADORA3ALDH1A1LMNA
SCHEMBL9691641 0.84 EPHX1 (0.52) TSHRMAPTEPHX1ADORA3ALDH1A1
SCHEMBL2210689 0.82 TSHR (0.79) TSHRMAPTEPHX1ALDH1A1LMNA
SCHEMBL9527149 0.81 EPHX1 (0.49) TSHREPHX1ALDH1A1LMNAKMT2A
SCHEMBL8875725 0.81 TSHR (1.00) TSHRMAPTEPHX1ALDH1A1SMN1; SMN2
SCHEMBL14365934 0.81 TSHR (1.00) TSHRMAPTEPHX1ALDH1A1SMN1; SMN2
SCHEMBL14393160 0.81 TSHR (1.00) TSHRMAPTEPHX1ALDH1A1SMN1; SMN2
SCHEMBL8746347 0.81 TSHR (1.00) TSHRMAPTEPHX1ALDH1A1SMN1; SMN2
SCHEMBL3201023 0.81 TSHR (1.00) TSHRMAPTEPHX1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654026-B1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 1997-02-19 EP disclosed
US-5576438-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktiesel Skab) (DK) 1996-11-19 US disclosed
EP-0654026-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-05-24 EP disclosed
WO-1994003431-A1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-02-17 WO disclosed