SCHEMBL7813951

SCHEMBL7813951

CCOc1ccc(C(=O)NC(=Cc2ccccc2)C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7813948 1.00 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7813617 0.94 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7813619 0.94 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7827940 0.87 KMT2A (0.72) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7827937 0.87 KMT2A (0.72) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL27543049 0.85 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7829189 0.82 KMT2A (0.66) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7829186 0.82 KMT2A (0.66) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7822412 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL7822408 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1L3MBTL1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
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