SCHEMBL7825593

SCHEMBL7825593

O=C(O)CSc1ccc(Cc2ccc(SCC(=O)O)cc2)cc1.O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
FFAR1 O14842 1/20 0.38
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 5/20 0.36
HPGD P15428 4/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35
RGS12 O14924 1/20 0.35

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
SCHEMBL7825597 1.00 GAA (0.39) GAAFFAR1TSHRHSD17B10RAB9A
SCHEMBL7825599 0.88 GAA (0.35) GAAFFAR1TSHRHSD17B10RAB9A
SCHEMBL3866711 0.81 GAA (0.54) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL6201220 0.81 GAA (0.54) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL3858877 0.81 GAA (0.54) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL6201226 0.81 GAA (0.54) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL6201485 0.69 GAA (0.52) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL6201483 0.69 GAA (0.52) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL6201474 0.69 GAA (0.52) GAATSHRHSD17B10RAB9AALDH1A1
SCHEMBL16615455 0.67 GAA (0.53) GAATSHRHSD17B10RAB9AALDH1A1

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