SCHEMBL8409359

SCHEMBL8409359

CCc1ccccc1-c1cccc(SC)c1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
RAB9A P51151 6/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8406035 0.85 MAPT (0.57) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8408321 0.85 LMNA (0.54) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406704 0.84 RAB9A (0.47) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406387 0.83 MAPT (0.46) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8409358 0.82 HPGD (0.51) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8408317 0.81 MAPT (0.46) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8409500 0.81 MAPT (0.45) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406675 0.81 SMN1; SMN2 (0.54) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8411464 0.81 KMT2A (0.49) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406676 0.80 MAPT (0.59) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed