SCHEMBL7717482

SCHEMBL7717482

COC(=O)[C@](C)(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP2C19 P33261 2/20 0.54
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 3/20 0.43
PTGS2 P35354 1/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL3528826 0.83 ALDH1A1 (0.65) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL429356 0.83 ALDH1A1 (0.65) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL10965695 0.82 ALDH1A1 (0.63) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL246681 0.82 PTPRC (0.52) POLBALDH1A1CYP2C19NPSR1MEN1
SCHEMBL1648359 0.81 TDP1 (0.48) POLBALDH1A1MAPK1TSHRHSD11B1
SCHEMBL10886554 0.81 TSHR (0.52) POLBALDH1A1MAPK1TSHRHSD11B1
SCHEMBL6218720 0.80 ALDH1A1 (0.57) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL8926455 0.80 POLB (0.65) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL13172617 0.79 ALDH1A1 (0.60) POLBALDH1A1CYP2C19RECQLNPSR1
SCHEMBL27890350 0.79 ALDH1A1 (0.60) POLBALDH1A1CYP2C19RECQLNPSR1

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-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed