SCHEMBL8046468

SCHEMBL8046468

C=CCOc1ccc2cc(C=CCCCC(C)OCCCCC)ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
LTB4R Q15722 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL8046463 1.00 CA12 (0.35) CA12CA1CA9SRCABL1
SCHEMBL8235344 0.91 SRC (0.38) CA12CA1CA9SRCABL1
SCHEMBL8235349 0.91 SRC (0.38) CA12CA1CA9SRCABL1
SCHEMBL8051357 0.89 CA12 (0.37) CA12CA1CA9SRCABL1
SCHEMBL8051360 0.89 CA12 (0.37) CA12CA1CA9SRCABL1
SCHEMBL8051466 0.89 LTB4R (0.40) CA12CA1CA9SRCABL1
SCHEMBL8051469 0.89 LTB4R (0.40) CA12CA1CA9SRCABL1
SCHEMBL8047993 0.87 CNR2 (0.36) LTB4R
SCHEMBL8047999 0.87 CNR2 (0.36) LTB4R
SCHEMBL8047410 0.87 LTB4R (0.34) CA12CA1CA9SRCABL1

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