SCHEMBL566957

SCHEMBL566957

O=C1COC(=O)C(CSCc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.42
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR2 P50052 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
DDB1 Q16531 1/20 0.32
DAO P14920 1/20 0.32
CTRB1 P17538 1/20 0.32
HPGD P15428 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
SCHEMBL566956 1.00 CRBN (0.42) CRBNMAPTL3MBTL1NPC1RAB9A
SCHEMBL5501059 0.80 CTRB1 (0.42) HTTF2PRSS1CTRB1
SCHEMBL567091 0.73 LMNA (0.49) MAPTLMNAHTTCYP2C19
SCHEMBL567665 0.73 LMNA (0.49) MAPTLMNAHTTCYP2C19
SCHEMBL4699124 0.70 CRBN (0.54) CRBNMAPTL3MBTL1NPC1RAB9A
SCHEMBL536617 0.70 GLA (0.47) L3MBTL1ALDH1A1KMT2A
SCHEMBL567327 0.70 GLA (0.47) L3MBTL1ALDH1A1KMT2A
SCHEMBL7767198 0.69 CRBN (0.49) CRBNMAPTL3MBTL1NPC1RAB9A
SCHEMBL7259274 0.69 LMNA (0.49) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL10865471 0.69 CRBN (0.44) CRBNMAPTL3MBTL1NPC1RAB9A

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
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
WO-2010100390-A1 CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS MINASOLVE (FR) 2010-09-10 WO disclosed