SCHEMBL8048165

SCHEMBL8048165

CCCCCOC(C)CCCC=Cc1ccc2cc(-c3ccc(O)c(F)c3)ncc2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
MGLL Q99685 6/20 0.31
FAAH O00519 2/20 0.31
CNR1 P21554 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL8048158 1.00 APP (0.32) APPNPC1CASP3RAB9ASENP7
SCHEMBL8051061 0.90 CYP11B1 (0.35) APPNPC1CASP3RAB9ASENP7
SCHEMBL8051057 0.90 CYP11B1 (0.35) APPNPC1CASP3RAB9ASENP7
SCHEMBL8036682 0.90 NPC1 (0.36) NPC1CASP3RAB9ASENP7CNR1
SCHEMBL8036677 0.90 NPC1 (0.36) NPC1CASP3RAB9ASENP7CNR1
SCHEMBL8036658 0.89 ESR1 (0.38) APPMGLLFAAHCNR1ESR1
SCHEMBL8036650 0.89 ESR1 (0.38) APPMGLLFAAHCNR1ESR1
SCHEMBL8054203 0.89 NPC1 (0.30) NPC1CASP3RAB9ASENP7
SCHEMBL8054207 0.89 NPC1 (0.30) NPC1CASP3RAB9ASENP7
SCHEMBL8036700 0.88 APP (0.32) APPNPC1RAB9ACNR2

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