SCHEMBL8047579

SCHEMBL8047579

C=CCc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)nc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8047576 1.00 CNR2 (0.37) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8048765 1.00 CNR2 (0.37) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8048772 1.00 CNR2 (0.37) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8036938 0.91 CNR2 (0.40) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8036942 0.91 CNR2 (0.40) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8051352 0.91 CNR2 (0.40) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8051355 0.91 CNR2 (0.40) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8036637 0.91 CNR2 (0.38) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8036644 0.91 CNR2 (0.38) CNR2CNR1TRPM8GABRA1GABRB2
SCHEMBL8047595 0.90 CNR2 (0.38) CNR2CNR1GABRA1GABRB2ALDH1A1

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