SCHEMBL8136193

SCHEMBL8136193

CCOC(=O)C(C(=O)OCC)C(=O)c1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPD P32754 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8136123 0.92 POLB (0.41) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL27474529 0.81 ALDH1A1 (0.57) RECQLALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL13312378 0.81 HPD (0.46) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL8139201 0.81 HPGD (0.53) ALDH1A1SMN1; SMN2POLBHPGDHPD
SCHEMBL8144060 0.80 MAPT (0.55) RECQLALDH1A1SMN1; SMN2LMNAHPD
SCHEMBL8137056 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAHPGDNPSR1
SCHEMBL8489229 0.78 HPD (0.69) ALDH1A1LMNAHPDMAPTPKM
SCHEMBL6406686 0.77 TSHR (0.57) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL10803120 0.77 MAPT (0.42) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL14259831 0.75 HPD (0.43) ALDH1A1SMN1; SMN2LMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
CN-1044245-C Tricyclic Dicarbonyl derivatives HAFFMANN LA ROCHE AG F (DE) 1999-07-21 CN disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
CN-1149295-A Tricyclic Dicarbonyl derivatives HOFFMANN LA ROCHE (CH) 1997-05-07 CN disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 WO disclosed