SCHEMBL8047635

SCHEMBL8047635

CCCCCOC(C)CCCC=Cc1ccc2cc(-c3ccc(O)nc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PLA2G4A P47712 1/20 0.32
SRC P12931 2/20 0.31
LTB4R Q15722 1/20 0.31
ABL1 P00519 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
APP P05067 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL8047630 1.00 ALDH1A1 (0.32) ALDH1A1CNR1CNR2PLA2G4ASRC
SCHEMBL8046661 0.90 ALDH1A1 (0.36) ALDH1A1CNR1CNR2ABCG2
SCHEMBL8054383 0.90 ALDH1A1 (0.36) ALDH1A1CNR1CNR2ABCG2
SCHEMBL8054388 0.90 ALDH1A1 (0.36) ALDH1A1CNR1CNR2ABCG2
SCHEMBL8046658 0.90 ALDH1A1 (0.36) ALDH1A1CNR1CNR2ABCG2
SCHEMBL8046797 0.88 LTB4R (0.33) ALDH1A1CNR1CNR2LTB4RAPP
SCHEMBL8046791 0.88 LTB4R (0.33) ALDH1A1CNR1CNR2LTB4RAPP
SCHEMBL8051404 0.87 ABCG2 (0.38) ALDH1A1CNR1CNR2APPABCG2
SCHEMBL8051409 0.87 ABCG2 (0.38) ALDH1A1CNR1CNR2APPABCG2
SCHEMBL8036458 0.87 ALOX5AP (0.35) ALDH1A1CNR1CNR2APP

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