SCHEMBL3680997

SCHEMBL3680997

COC(=O)OC1CCC=C(C)CCC1OC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
TAS2R46 P59540 6/20 0.33
MET P08581 4/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TERT O14746 1/20 0.33
PKM P14618 1/20 0.33
EPAS1 Q99814 1/20 0.32
LMNA P02545 3/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
SCHEMBL3680995 1.00 PTPN1 (0.38) PTPN1TAS2R46METNPC1ALDH1A1
SCHEMBL3669990 0.89 PTPN1 (0.36) PTPN1TAS2R46NPC1ALDH1A1TSHR
SCHEMBL3674236 0.89 PTPN1 (0.36) PTPN1TAS2R46NPC1ALDH1A1TSHR
SCHEMBL3674234 0.89 PTPN1 (0.36) PTPN1TAS2R46NPC1ALDH1A1TSHR
SCHEMBL3669989 0.89 PTPN1 (0.36) PTPN1TAS2R46NPC1ALDH1A1TSHR
SCHEMBL3672947 0.83 TAS2R46 (0.41) TAS2R46METMEN1RECQLKMT2A
SCHEMBL3672951 0.83 TAS2R46 (0.41) TAS2R46METMEN1RECQLKMT2A
SCHEMBL3675544 0.79 PTPN1 (0.38) PTPN1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL3675543 0.79 PTPN1 (0.38) PTPN1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL3674667 0.79 PTPN1 (0.38) PTPN1NPC1ALDH1A1TSHRRAB9A

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
US-7723423-B2 Gas-barrier resin composition CRYOVAC, INC. (US) 2010-05-25 US disclosed
EP-1746131-B1 Gas-barrier resin composition CRYOVAC INC (US) 2009-01-21 EP disclosed
US-7285598-B2 Polymer and process for producing the same KURARAY CO., LTD. (JP) 2007-10-23 US disclosed
US-20070093599-A1 Gas-barrier resin composition CRYOVAC, INC. (US) 2007-04-26 US disclosed
US-20070021556-A1 Gas-barrier resin composition KURARAY CO. LTD. (JP) 2007-01-25 US disclosed
EP-1746131-A2 Gas-barrier resin composition Cryovac, Inc. (US) 2007-01-24 EP disclosed
US-20060149009-A1 Produced by ring-opening, in the presence of a metal alkylidene complex comprising a ligand with an imidazolidine structure, a cyclic olefin comprising at least one cyclic olefin further comprising a hydroxy group or a functional group that can be converted into a hydroxy group, and hydrogenating KURARAY CO., LTD. (JP) 2006-07-06 US disclosed
EP-1598384-A1 NOVEL POLYMER AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD. (JP) 2005-11-23 EP disclosed