SCHEMBL8054664

SCHEMBL8054664

C=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
PTPN11 Q06124 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
MAOB P27338 2/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
AHR P35869 1/20 0.31
MGAM O43451 3/20 0.31
GAA P10253 3/20 0.31
SI P14410 3/20 0.31
MGAM2 Q2M2H8 3/20 0.31
CNR2 P34972 1/20 0.31
PTPN1 P18031 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
SCHEMBL8054658 1.00 RARB (0.33) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8051754 0.99 RARB (0.32) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8051751 0.99 RARB (0.32) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8036565 0.95 RARB (0.33) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8048644 0.95 RARB (0.33) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8036560 0.95 RARB (0.33) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8048643 0.95 RARB (0.33) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8046125 0.94 S1PR1 (0.35) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8046121 0.94 S1PR1 (0.35) RARBPTPN11S1PR1S1PR3MAOB
SCHEMBL8054214 0.94 SRC (0.35) PTPN11S1PR1S1PR3CNR2

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