SCHEMBL8054790

SCHEMBL8054790

C=CCc1ccc(-c2ccc(-c3ncc(/C=C/CCCC(C)OCCCCC)cn3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
RARB P10826 1/20 0.37
CNR1 P21554 1/20 0.36
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
TRPM8 Q7Z2W7 3/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL8054794 1.00 CNR2 (0.38) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8047869 0.95 CNR2 (0.37) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8047874 0.95 CNR2 (0.37) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8046262 0.94 CNR2 (0.36) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8046267 0.94 CNR2 (0.36) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8051581 0.92 RARB (0.34) CNR2RARBCNR1KDM4ERAB9A
SCHEMBL8051578 0.92 RARB (0.34) CNR2RARBCNR1KDM4ERAB9A
SCHEMBL8036510 0.92 CNR2 (0.35) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8036518 0.92 CNR2 (0.35) CNR2RARBCNR1GABRA1GABRB2
SCHEMBL8053951 0.91 CNR2 (0.39) CNR2RARBCNR1GABRA1GABRB2

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