SCHEMBL7828050

SCHEMBL7828050

C=CC=CC(=O)O.O=C(O)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
BLM P54132 1/20 0.61
KCNK3 O14649 2/20 0.60
KCNK9 Q9NPC2 2/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
POLB P06746 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
SIRT6 Q8N6T7 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL7828043 1.00 RAB9A (0.61) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL18906020 0.87 RAB9A (0.79) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL7828047 0.82 SMN1; SMN2 (0.64) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL6816359 0.79 ALDH1A1 (0.67) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL8353423 0.76 LMNA (1.00) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL29029973 0.76 RAB9A (0.68) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL23011774 0.75 ALDH1A1 (0.84) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL3647261 0.75 MAPK1 (0.76) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL16179719 0.74 ALDH1A1 (0.70) RAB9ABLMKCNK3KCNK9LMNA
SCHEMBL7948473 0.73 RAB9A (0.59) RAB9ABLMKCNK3KCNK9LMNA

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