SCHEMBL8051503

SCHEMBL8051503

CCCCCOC(C)CCC/C=C/c1cnc(-c2ccc(-c3ccc(O)c(F)c3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 2/20 0.35
CYP17A1 P05093 3/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
PTPN11 Q06124 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RARB P10826 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
SCHEMBL8051509 1.00 MGLL (0.35) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8051445 0.96 TRPV1 (0.36) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8051438 0.96 TRPV1 (0.36) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8046234 0.95 MGLL (0.34) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8046228 0.95 MGLL (0.34) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8037051 0.93 TRPV1 (0.34) MGLLFAAHCNR1CYP17A1TRPV1
SCHEMBL8037046 0.93 TRPV1 (0.34) MGLLFAAHCNR1CYP17A1TRPV1
SCHEMBL8054417 0.90 MGLL (0.39) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8036816 0.90 MGLL (0.39) MGLLFAAHCNR1CYP17A1KDM4E
SCHEMBL8054415 0.90 MGLL (0.39) MGLLFAAHCNR1CYP17A1KDM4E

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