SCHEMBL7828236

SCHEMBL7828236

CCC(C(=O)O)(C(=O)O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
BLM P54132 2/20 0.41
CYP2D6 P10635 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PGR P06401 1/20 0.41
THRB P10828 1/20 0.41
ADRB3 P13945 1/20 0.41
OPRK1 P41145 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE3A Q14432 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL28535906 0.81 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2PTGS2BLMCYP2D6
SCHEMBL3743980 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL25500507 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL13269728 0.79 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL6532232 0.77 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL6418757 0.77 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL9735256 0.76 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL25345205 0.76 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL5074249 0.76 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT
SCHEMBL505194 0.76 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2PTGS2LMNANAPRT

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