SCHEMBL8036893

SCHEMBL8036893

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
PTPN11 Q06124 2/20 0.34
RARB P10826 1/20 0.32
CNR2 P34972 2/20 0.32
MAOB P27338 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SRC P12931 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
ABL1 P00519 1/20 0.31
TNNC1 P63316 1/20 0.31

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
SCHEMBL8036890 1.00 S1PR1 (0.35) S1PR1S1PR3PTPN11RARBCNR2
SCHEMBL8046125 0.99 S1PR1 (0.35) S1PR1S1PR3PTPN11RARBCNR2
SCHEMBL8046121 0.99 S1PR1 (0.35) S1PR1S1PR3PTPN11RARBCNR2
SCHEMBL8036565 0.96 RARB (0.33) S1PR1S1PR3PTPN11RARBMAOB
SCHEMBL8048644 0.96 RARB (0.33) S1PR1S1PR3PTPN11RARBMAOB
SCHEMBL8048643 0.96 RARB (0.33) S1PR1S1PR3PTPN11RARBMAOB
SCHEMBL8036560 0.96 RARB (0.33) S1PR1S1PR3PTPN11RARBMAOB
SCHEMBL8051754 0.95 RARB (0.32) S1PR1S1PR3PTPN11RARBCNR2
SCHEMBL8051751 0.95 RARB (0.32) S1PR1S1PR3PTPN11RARBCNR2
SCHEMBL8054664 0.94 RARB (0.33) S1PR1S1PR3PTPN11RARBCNR2

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