SCHEMBL7825599

SCHEMBL7825599

O=C(O)CSc1ccc(Cc2ccc(SCC(=O)OC(=O)C3CCCCC3C(=O)c3cccs3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ALDH1A1 P00352 5/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 4/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
RGS12 O14924 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7825593 0.88 GAA (0.39) GAAALDH1A1FFAR1TSHRHSD17B10
SCHEMBL7825597 0.88 GAA (0.39) GAAALDH1A1FFAR1TSHRHSD17B10
SCHEMBL13685721 0.69 PREP (0.44) GAAALDH1A1TSHRHSD17B10HPGD
SCHEMBL3863056 0.69 PREP (0.44) GAAALDH1A1TSHRHSD17B10HPGD
SCHEMBL14398956 0.68 HSD17B10 (0.47) GAAALDH1A1TSHRHSD17B10HPGD
SCHEMBL3858877 0.68 GAA (0.54) GAAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL3866711 0.68 GAA (0.54) GAAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6201220 0.68 GAA (0.54) GAAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6201226 0.68 GAA (0.54) GAAALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL6201485 0.65 GAA (0.52) GAAALDH1A1TSHRHSD17B10L3MBTL1

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