SCHEMBL8047462

SCHEMBL8047462

CCCCCOC(C)CCC/C=C/c1ccc2cc(O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
NR5A1 Q13285 1/20 0.36
APP P05067 4/20 0.36
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LTA4H P09960 1/20 0.35
HDAC1 Q13547 1/20 0.34
TNNC1 P63316 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
LTB4R Q15722 1/20 0.33

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
SCHEMBL8047468 1.00 ABCG2 (0.38) ABCG2NR5A1APPALDH1A1CNR1
SCHEMBL8051404 0.91 ABCG2 (0.38) ABCG2NR5A1APPALDH1A1CNR1
SCHEMBL8051409 0.91 ABCG2 (0.38) ABCG2NR5A1APPALDH1A1CNR1
SCHEMBL8053964 0.91 ABCG2 (0.38) ABCG2TNNC1
SCHEMBL8053968 0.91 ABCG2 (0.38) ABCG2TNNC1
SCHEMBL8047795 0.88 ESR1 (0.44) ABCG2
SCHEMBL8037030 0.88 ESR1 (0.44) ABCG2
SCHEMBL8037034 0.88 ESR1 (0.44) ABCG2
SCHEMBL8047798 0.88 ESR1 (0.44) ABCG2
SCHEMBL8047582 0.87 NR5A1 (0.36) ABCG2NR5A1ALDH1A1CNR1CNR2

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