SCHEMBL4649340

SCHEMBL4649340

O=C(O)c1cccc(C(=O)OC(OC(=O)c2cccc(C(=O)O)c2)C2CCC(C(OC(=O)c3cccc(C(=O)O)c3)OC(=O)c3cccc(C(=O)O)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
AKR1C3 P42330 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL300467 0.83 TSHR (0.44) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL8412660 0.82 NR1H4 (0.41) KMONPC1MAPTHTTRAB9A
Ethylene SCHEMBL4958480 0.80 TSHR (0.41) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL6233392 0.80 NPC1 (0.62) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL30678268 0.80 NPC1 (0.62) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL27348320 0.78 CA12 (0.48) KMONPC1MAPTHTTRAB9A
SCHEMBL7877712 0.76 SMYD3 (0.43) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL3434702 0.75 LMNA (0.47) NPC1SMN1; SMN2CA12CA1CA2
SCHEMBL9005704 0.75 AKR1C3 (0.54) KMONPC1HTTAKR1C3PKM
SCHEMBL7917046 0.75 SMN1; SMN2 (0.49) KMONPC1MAPTHTTRAB9A

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
EP-1401910-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS Cyclics Corporation (US) 2004-03-31 EP claimed
WO-2002098946-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORPORATION (US) 2002-12-12 WO claimed
CN-111840319-A Bioceramic compositions and bioregulatory uses thereof 复合能源技术有限公司 2020-10-30 CN disclosed
CN-106488785-B Bioceramic compositions and bioregulatory uses thereof 复合能源技术有限公司 2020-08-25 CN disclosed
US-8653192-B2 Method for manufacturing a polyester composition having improved impact properties ARKEMA FRANCE (FR) 2014-02-18 US disclosed
US-20120271004-A1 METHOD FOR MANUFACTURING A POLYESTER COMPOSITION HAVING IMPROVED IMPACT PROPERTIES ARKEMA FRANCE (FR) 2012-10-25 US disclosed
EP-1401910-B1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORP (US) 2008-08-27 EP disclosed
EP-1401910-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS Cyclics Corporation (US) 2004-03-31 EP disclosed
WO-2002098946-A1 COPOLYESTERS AND POLYMERIZATION OF MACROCYCLIC OLIGOESTERS CYCLICS CORPORATION (US) 2002-12-12 WO disclosed