SCHEMBL8036812

SCHEMBL8036812

C=CCOc1ccc(-c2ccc3cc(/C=C/CCCC(C)OCCCCC)ccc3c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.35
ABL1 P00519 2/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CNR2 P34972 1/20 0.31
PTPN11 Q06124 1/20 0.31
HMOX1 P09601 1/20 0.31
CASR P41180 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
SCHEMBL8036815 1.00 SRC (0.35) SRCABL1AKR1C3AKR1C2S1PR1
SCHEMBL8054214 0.97 SRC (0.35) SRCABL1AKR1C3AKR1C2S1PR1
SCHEMBL8054210 0.97 SRC (0.35) SRCABL1AKR1C3AKR1C2S1PR1
SCHEMBL8046121 0.93 S1PR1 (0.35) SRCABL1S1PR1S1PR3CNR2
SCHEMBL8046125 0.93 S1PR1 (0.35) SRCABL1S1PR1S1PR3CNR2
SCHEMBL8036890 0.92 S1PR1 (0.35) SRCABL1S1PR1S1PR3CNR2
SCHEMBL8036893 0.92 S1PR1 (0.35) SRCABL1S1PR1S1PR3CNR2
SCHEMBL8054664 0.91 RARB (0.33) S1PR1S1PR3CNR2PTPN11
SCHEMBL8054658 0.91 RARB (0.33) S1PR1S1PR3CNR2PTPN11
SCHEMBL8051751 0.91 RARB (0.32) S1PR1S1PR3CNR2PTPN11

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