SCHEMBL8037046

SCHEMBL8037046

CCCCCOC(C)CCC/C=C/c1ccc(-c2cnc(-c3ccc(O)c(F)c3)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
SNCA P37840 1/20 0.33
MGLL Q99685 6/20 0.32
FAAH O00519 2/20 0.32
CNR1 P21554 2/20 0.32
CYP17A1 P05093 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
APP P05067 4/20 0.31
SMPD1 P17405 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
HSD17B14 Q9BPX1 1/20 0.31

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
SCHEMBL8037051 1.00 TRPV1 (0.34) TRPV1SNCAMGLLFAAHCNR1
SCHEMBL8046234 0.96 MGLL (0.34) TRPV1SNCAMGLLFAAHCNR1
SCHEMBL8046228 0.96 MGLL (0.34) TRPV1SNCAMGLLFAAHCNR1
SCHEMBL8051445 0.94 TRPV1 (0.36) TRPV1MGLLFAAHCNR1CYP17A1
SCHEMBL8051438 0.94 TRPV1 (0.36) TRPV1MGLLFAAHCNR1CYP17A1
SCHEMBL8051503 0.93 MGLL (0.35) TRPV1MGLLFAAHCNR1CYP17A1
SCHEMBL8051509 0.93 MGLL (0.35) TRPV1MGLLFAAHCNR1CYP17A1
SCHEMBL8036820 0.91 MGLL (0.39) SNCAMGLLFAAHCNR1CYP17A1
SCHEMBL8054415 0.91 MGLL (0.39) SNCAMGLLFAAHCNR1CYP17A1
SCHEMBL8036816 0.91 MGLL (0.39) SNCAMGLLFAAHCNR1CYP17A1

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