SCHEMBL7448281

SCHEMBL7448281

CCC(=S)CCC(=O)N(C)CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8009812 0.85 NPC1 (0.53) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL7445464 0.82 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL7268397 0.80 NPC1 (0.53) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL8644740 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1MAPTHPGD
SCHEMBL6900506 0.78 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL22970829 0.78 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL11681830 0.77 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL25132758 0.76 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL31072137 0.76 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1L3MBTL1MAPK1
SCHEMBL23643807 0.76 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed
US-5726192-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-03-10 US disclosed
EP-0677043-A4 1995-11-22 EP disclosed
EP-0677043-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014775-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed