SCHEMBL8046797

SCHEMBL8046797

CCCCCOC(C)CCCC=Cc1ccc2cc(O)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
APP P05067 4/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC1 Q13547 1/20 0.32
TNNC1 P63316 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL8046791 1.00 LTB4R (0.33) LTB4RAPPABCG2ALDH1A1CNR1
SCHEMBL8047635 0.88 ALDH1A1 (0.32) LTB4RAPPABCG2ALDH1A1CNR1
SCHEMBL8047630 0.88 ALDH1A1 (0.32) LTB4RAPPABCG2ALDH1A1CNR1
SCHEMBL8036682 0.87 NPC1 (0.36) ABCG2ALDH1A1CNR1CNR2
SCHEMBL8036677 0.87 NPC1 (0.36) ABCG2ALDH1A1CNR1CNR2
SCHEMBL8046745 0.86
SCHEMBL8046741 0.86
SCHEMBL8047462 0.86 ABCG2 (0.38) LTB4RAPPABCG2ALDH1A1CNR1
SCHEMBL8047468 0.86 ABCG2 (0.38) LTB4RAPPABCG2ALDH1A1CNR1
SCHEMBL8048633 0.85 PPARG (0.33) LTB4RAPPABCG2ALDH1A1CNR1

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