SCHEMBL8048665

SCHEMBL8048665

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.34
RARB P10826 1/20 0.32
TRPM8 Q7Z2W7 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KCNA3 P22001 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
SCHEMBL8048669 1.00 TNNC1 (0.36) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8048613 0.92 TNNC1 (0.32) TNNC1CNR2CNR1ALDH1A1
SCHEMBL8048617 0.92 TNNC1 (0.32) TNNC1CNR2CNR1ALDH1A1
SCHEMBL8231763 0.92 RARB (0.37) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8053867 0.92 RARB (0.37) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8053869 0.92 RARB (0.37) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8231762 0.92 RARB (0.37) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8049192 0.91 RARB (0.38) TNNC1CNR2CNR1RARBTRPM8
SCHEMBL8046623 0.91 TNNC1 (0.32) TNNC1CNR2CNR1ALDH1A1
SCHEMBL8049194 0.91 RARB (0.38) TNNC1CNR2CNR1RARBTRPM8

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