SCHEMBL8048644

SCHEMBL8048644

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.33
RARA P10276 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
AHR P35869 1/20 0.32
PTPN11 Q06124 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MAOB P27338 1/20 0.31
TNNC1 P63316 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
SCHEMBL8048643 1.00 RARB (0.33) RARBRARANPC1TP53RAB9A
SCHEMBL8036565 1.00 RARB (0.33) RARBRARANPC1TP53RAB9A
SCHEMBL8036560 1.00 RARB (0.33) RARBRARANPC1TP53RAB9A
SCHEMBL8051751 0.96 RARB (0.32) RARBNPC1TP53RAB9AAHR
SCHEMBL8051754 0.96 RARB (0.32) RARBNPC1TP53RAB9AAHR
SCHEMBL8036893 0.96 S1PR1 (0.35) RARBNPC1TP53RAB9APTPN11
SCHEMBL8036890 0.96 S1PR1 (0.35) RARBNPC1TP53RAB9APTPN11
SCHEMBL8054664 0.95 RARB (0.33) RARBNPC1TP53RAB9AAHR
SCHEMBL8046121 0.95 S1PR1 (0.35) RARBNPC1TP53RAB9APTPN11
SCHEMBL8046125 0.95 S1PR1 (0.35) RARBNPC1TP53RAB9APTPN11

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