Sugi Predict

Sugi Predict / Compounds / SCHEMBL2934271

SCHEMBL2934271

SCHEMBL2934271

CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.CCCCCCc1cn(C)c(C)n1.OB(O)F.OB(O)F.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ SPNS2 Q8IVW8 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ LIPG Q9Y5X9 5/20 0.35
▸ LPL P06858 4/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ CYP19A1 P11511 6/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ GBA1 P04062 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
SCHEMBL18428772 0.91 KCNH2 (0.48) KCNH2SPNS2TLR8MIFCYP19A1
SCHEMBL16701024 0.91 KCNH2 (0.48) KCNH2SPNS2TLR8MIFCYP19A1
SCHEMBL5561625 0.91 KCNH2 (0.48) KCNH2SPNS2TLR8MIFCYP19A1
Iodide SCHEMBL78512 0.89 KCNH2 (0.47) KCNH2SPNS2TLR8MIFCYP19A1
Bromide SCHEMBL3835040 0.89 KCNH2 (0.47) KCNH2SPNS2TLR8MIFCYP19A1
SCHEMBL3632656 0.84 NOS2 (0.42) KCNH2TLR8MIFGABRA2GABRB2
Hydrochloric Acid SCHEMBL16990774 0.76 TLR8 (0.50) KCNH2TLR8MIF
SCHEMBL17369091 0.76 NOS3 (0.38) TLR8CYP19A1
Trifluoromethanesulfonic Acid SCHEMBL14689984 0.75 GABRA2 (0.32) GABRA2GABRB2
Iodide SCHEMBL632376 0.75 NOS3 (0.37) TLR8CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454884-B2 Method of producing cellulose carbamate blown film and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-06-04 — — US claimed
US-8263507-B2 Cellulose carbamate spinning solution, method for producing a cellulose carbamate nonwoven, and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG, E.V. (DE) 2012-09-11 — — US claimed
EP-2110467-B1 Cellulose carbamate spinning solution, and method for producing a cellulose carbamate non-woven fabric FRAUNHOFER GES FORSCHUNG (DE) 2010-09-22 — — EP claimed
US-20090259032-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE BLOWN FILM AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US claimed
US-20090258227-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE FIBRE AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US claimed
US-20090258561-A1 CELLULOSE CARBAMATE SPINNING SOLUTION, METHOD FOR PRODUCING A CELLULOSE CARBAMATE NONWOVEN, AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US claimed
US-8454884-B2 Method of producing cellulose carbamate blown film and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2013-06-04 — — US disclosed
US-8263507-B2 Cellulose carbamate spinning solution, method for producing a cellulose carbamate nonwoven, and use of the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG, E.V. (DE) 2012-09-11 — — US disclosed
US-20090259032-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE BLOWN FILM AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US disclosed
US-20090258227-A1 METHOD OF PRODUCING CELLULOSE CARBAMATE FIBRE AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US disclosed
US-20090258561-A1 CELLULOSE CARBAMATE SPINNING SOLUTION, METHOD FOR PRODUCING A CELLULOSE CARBAMATE NONWOVEN, AND USE OF THE SAME FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-10-15 — — US disclosed