SCHEMBL3677054

SCHEMBL3677054

COC(=O)OC1CC/C=C\CCC1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
GSR P00390 1/20 0.33
CYP19A1 P11511 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
SCHEMBL3677056 1.00 NPC1 (0.33) NPC1RAB9ALMNATP53TSHR
SCHEMBL3669966 0.88 GSR (0.36) NPC1RAB9ALMNATP53TSHR
SCHEMBL3669964 0.88 GSR (0.36) NPC1RAB9ALMNATP53TSHR
SCHEMBL3669571 0.83 SMN1; SMN2 (0.40) NPC1RAB9ALMNATP53TSHR
SCHEMBL3682857 0.81 CHRM2 (0.39) TSHRMAPTGSRCYP19A1
SCHEMBL3682859 0.81 CHRM2 (0.39) TSHRMAPTGSRCYP19A1
SCHEMBL3674234 0.77 PTPN1 (0.36) NPC1RAB9ATSHRSMN1; SMN2CYP19A1
SCHEMBL3674236 0.77 PTPN1 (0.36) NPC1RAB9ATSHRSMN1; SMN2CYP19A1
SCHEMBL3669989 0.77 PTPN1 (0.36) NPC1RAB9ATSHRSMN1; SMN2CYP19A1
SCHEMBL3669990 0.77 PTPN1 (0.36) NPC1RAB9ATSHRSMN1; SMN2CYP19A1

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