SCHEMBL8046559

SCHEMBL8046559

C=CCc1cnc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.31
RARB P10826 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
SCHEMBL8046554 1.00 CNR2 (0.32) CNR2TRPM8RARB
SCHEMBL8051578 0.94 RARB (0.34) CNR2RARB
SCHEMBL8051581 0.94 RARB (0.34) CNR2RARB
SCHEMBL8047886 0.93 CNR2 (0.36) CNR2RARB
SCHEMBL8047883 0.93 CNR2 (0.36) CNR2RARB
SCHEMBL8046267 0.92 CNR2 (0.36) CNR2TRPM8RARB
SCHEMBL8046262 0.92 CNR2 (0.36) CNR2TRPM8RARB
SCHEMBL8036518 0.90 CNR2 (0.35) CNR2RARB
SCHEMBL8036510 0.90 CNR2 (0.35) CNR2RARB
SCHEMBL8037217 0.90 NPC1 (0.32) CNR2TRPM8

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