SCHEMBL7826541

SCHEMBL7826541

COc1cc(NC(=O)/C=C\C(=O)O)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 5/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LPAR2 Q9HBW0 3/20 0.55
LPAR1 Q92633 2/20 0.55
LPAR3 Q9UBY5 2/20 0.55
LMNA P02545 1/20 0.54
NMT1 P30419 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL11140557 0.97 LPAR2 (0.59) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL11140553 0.97 LPAR2 (0.59) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL19067068 0.89 ALDH1A1 (0.57) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL6895368 0.84 MMP1 (0.72) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL11441877 0.84 MMP1 (0.72) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL30764060 0.84 MMP1 (0.72) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL6895377 0.84 MMP1 (0.72) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL13174794 0.83 KMT2A (0.76) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL890966 0.83 KMT2A (0.76) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL890965 0.83 KMT2A (0.76) GAAALDH1A1KMT2AMEN1SMN1; 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