SCHEMBL7424850

SCHEMBL7424850

CCOc1cccc([O])c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RECQL P46063 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
CCR6 P51684 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL18989532 0.91 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL18245864 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2735445 0.84 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9474904 0.84 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11193937 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL20509544 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL30897300 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL27765514 0.83 GPR35 (0.51) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL16960277 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL27693986 0.83 L3MBTL1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed