SCHEMBL3409571

SCHEMBL3409571

O=C(CC(=O)OCc1cccs1)OCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL28998050 0.91 NPC1 (0.52) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL31079637 0.89 POLB (0.53) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL7270115 0.85 NPC1 (0.54) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL9490613 0.85 NPC1 (0.50) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL10974072 0.85 NPC1 (0.50) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL10972741 0.85 NPC1 (0.50) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL21605311 0.85 NPC1 (0.50) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL28711480 0.84 NPC1 (0.55) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL11666229 0.84 NPC1 (0.44) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL13496587 0.82 SLC1A3 (0.54) NPC1RAB9ASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925674-A Fullerene-based electron transport material with Lewis base group and application thereof 四川轻化工大学 2023-04-07 CN claimed
CN-115925674-A Fullerene-based electron transport material with Lewis base group and application thereof 四川轻化工大学 2023-04-07 CN disclosed
CN-115925674-A Fullerene-based electron transport material with Lewis base group and application thereof 四川轻化工大学 2023-04-07 CN disclosed
EP-2257540-A2 IMPROVED PROCESS FOR EPROSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-08 EP disclosed
WO-2009122421-A2 IMPROVED PROCESS FOR EPROSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-08 WO disclosed
WO-2009084028-A2 IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE NEULAND LABORATORIES LTD (IN) 2009-07-09 WO disclosed
CN-1093128-C Process for preparing eprosartan SMITHKLINE BEECHAM CORP (US) 2002-10-23 CN disclosed
US-6294675-B1 CHEMICAL INTERMEDIATE SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
CN-1247538-A Process for preparing eprosartan SMITHKLINE BEECHAM CORP (US) 2000-03-15 CN disclosed