SCHEMBL7773992

SCHEMBL7773992

CC(C)(C)OC(=O)ON1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 2/20 0.44
EPHX1 P07099 1/20 0.43
PKM P14618 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SCN9A Q15858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
ALK Q9UM73 1/20 0.41

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
SCHEMBL7299890 0.78 SLC18A3 (0.48) ALDH1A1MAPTLMNA
SCHEMBL27208475 0.76 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTLMNAPKM
SCHEMBL4310920 0.75 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5012643 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL372131 0.73 PPARG (0.51) ALDH1A1MAPTEPHX1
SCHEMBL166256 0.72 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTLMNAPKM
SCHEMBL7723375 0.72 CCR5 (0.43) ALDH1A1KMT2AMEN1LMNAEPHX1
SCHEMBL2584476 0.71 ALDH1A1 (0.53) ALDH1A1LMNAPKM
SCHEMBL7772043 0.71 EPHX1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL7772034 0.71 EPHX1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA

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-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed