SCHEMBL7828047

SCHEMBL7828047

C=C/C=C/C(=O)OC(=O)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 2/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
POLB P06746 3/20 0.56
BLM P54132 1/20 0.56
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
MAPT P10636 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
SCHEMBL7828050 0.82 RAB9A (0.61) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL7828043 0.82 RAB9A (0.61) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL8353423 0.74 LMNA (1.00) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL18906020 0.74 RAB9A (0.79) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL23011774 0.74 ALDH1A1 (0.84) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL3647261 0.73 MAPK1 (0.76) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL6816533 0.72 SMN1; SMN2 (0.84) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL8353836 0.70 LMNA (0.67) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL29106508 0.70 MEN1 (0.76) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL30701883 0.70 MEN1 (0.76) SMN1; SMN2HTTRAB9ANPC1LMNA

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