SCHEMBL8051407

SCHEMBL8051407

C=CCOc1ccc(-c2cnc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)nc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
PTPN11 Q06124 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
MAOB P27338 1/20 0.30
PRKACA P17612 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
PRKX P51817 1/20 0.30
PRKCQ Q04759 1/20 0.30
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL8051403 1.00 NPC1 (0.34) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8054113 0.95 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8054107 0.95 NPC1 (0.36) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8054039 0.95 NPC1 (0.35) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8054043 0.95 NPC1 (0.35) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8235183 0.94 PTPN11 (0.31) PTPN11S1PR1S1PR3
SCHEMBL8235189 0.94 PTPN11 (0.31) PTPN11S1PR1S1PR3
SCHEMBL8046125 0.93 S1PR1 (0.35) NPC1RAB9ASRCABL1PTPN11
SCHEMBL8046121 0.93 S1PR1 (0.35) NPC1RAB9ASRCABL1PTPN11
SCHEMBL8036890 0.92 S1PR1 (0.35) NPC1RAB9ASRCABL1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed