SCHEMBL5501059

SCHEMBL5501059

O=C1COC(=O)C(Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
FASN P49327 1/20 0.41
MAOB P27338 1/20 0.40
GRM2 Q14416 1/20 0.40
CYP19A1 P11511 1/20 0.38
ABCB1 P08183 3/20 0.38
TAAR1 Q96RJ0 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CACNA1G O43497 2/20 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
SCHEMBL7259274 0.86 LMNA (0.49) MAOBGRM2
SCHEMBL7263190 0.83 CAPN1 (0.39) CYP19A1CACNA1G
SCHEMBL7629569 0.81 CTRB1 (0.53) CTRB1F2PRSS1FASNMAOB
SCHEMBL567091 0.80 LMNA (0.49) MAOBTAAR1TSHRHTT
SCHEMBL567665 0.80 LMNA (0.49) MAOBTAAR1TSHRHTT
SCHEMBL566956 0.80 CRBN (0.42) CTRB1F2PRSS1HTT
SCHEMBL566957 0.80 CRBN (0.42) CTRB1F2PRSS1HTT
SCHEMBL2858795 0.79 CTRB1 (0.52) CTRB1F2PRSS1FASNMAOB
SCHEMBL567327 0.75 GLA (0.47)
SCHEMBL536617 0.75 GLA (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1774410-A1 CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS Canon Kabushiki Kaisha (JP) 2007-04-18 EP disclosed
EP-1758948-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR Canon Kabushiki Kaisha (JP) 2007-03-07 EP disclosed
EP-1758949-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF Canon Kabushiki Kaisha (JP) 2007-03-07 EP disclosed
WO-2005121904-A1 CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121204-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121206-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed