SCHEMBL8054081

SCHEMBL8054081

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cc3F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.35
TNNC1 P63316 1/20 0.33
KCNA3 P22001 3/20 0.33
TRPM8 Q7Z2W7 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAOB P27338 2/20 0.31
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 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
SCHEMBL8054077 1.00 RARB (0.37) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8049194 0.99 RARB (0.38) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8049192 0.99 RARB (0.38) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8053869 0.95 RARB (0.37) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8231762 0.95 RARB (0.37) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8053867 0.95 RARB (0.37) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8231763 0.95 RARB (0.37) RARBCNR2CNR1TNNC1KCNA3
SCHEMBL8048094 0.94 CNR2 (0.39) RARBCNR2CNR1TNNC1TRPM8
SCHEMBL8048091 0.94 CNR2 (0.39) RARBCNR2CNR1TNNC1TRPM8
SCHEMBL8053951 0.94 CNR2 (0.39) RARBCNR2CNR1TNNC1TRPM8

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