SCHEMBL7828244

SCHEMBL7828244

CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 9/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7828248 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7822120 0.89 MEN1 (0.64) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7822118 0.89 MEN1 (0.64) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL27543049 0.83 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7813617 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7813619 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7822408 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7822412 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL22279503 0.79 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7827940 0.79 KMT2A (0.72) ALDH1A1KMT2AMEN1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed