SCHEMBL8046568

SCHEMBL8046568

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
NR5A1 Q13285 1/20 0.32
LTA4H P09960 1/20 0.31
FAAH O00519 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL8046564 1.00 CNR2 (0.34) CNR2ALDH1A1CNR1NR5A1LTA4H
SCHEMBL8051308 0.99 CNR2 (0.34) CNR2ALDH1A1CNR1NR5A1LTA4H
SCHEMBL8051303 0.99 CNR2 (0.34) CNR2ALDH1A1CNR1NR5A1LTA4H
SCHEMBL8048942 0.90 ABCG2 (0.31) NR5A1ABCG2
SCHEMBL8048938 0.90 ABCG2 (0.31) NR5A1ABCG2
SCHEMBL8048551 0.90 NPC1 (0.32) NR5A1ABCG2
SCHEMBL8051256 0.90 RAB9A (0.39) ALDH1A1NR5A1
SCHEMBL8054030 0.90 NPC1 (0.34) NR5A1
SCHEMBL8048556 0.90 NPC1 (0.32) NR5A1ABCG2
SCHEMBL8054027 0.90 NPC1 (0.34) NR5A1

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