SCHEMBL8051409

SCHEMBL8051409

CCCCCOC(C)CCCC=Cc1ccc2cc(-c3ccc(O)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
NR5A1 Q13285 1/20 0.36
LTA4H P09960 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
APP P05067 4/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 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
SCHEMBL8051404 1.00 ABCG2 (0.38) ABCG2NR5A1LTA4HESR1ESR2
SCHEMBL8053964 0.94 ABCG2 (0.38) ABCG2ESR1ESR2
SCHEMBL8053968 0.94 ABCG2 (0.38) ABCG2ESR1ESR2
SCHEMBL8047462 0.91 ABCG2 (0.38) ABCG2NR5A1LTA4HAPPALDH1A1
SCHEMBL8047468 0.91 ABCG2 (0.38) ABCG2NR5A1LTA4HAPPALDH1A1
SCHEMBL8047980 0.90 ABCG2 (0.43) ABCG2NR5A1LTA4HALDH1A1CNR1
SCHEMBL8047975 0.90 ABCG2 (0.43) ABCG2NR5A1LTA4HALDH1A1CNR1
SCHEMBL8051750 0.90 ABCG2 (0.43) ABCG2NR5A1LTA4HALDH1A1CNR1
SCHEMBL8051746 0.90 ABCG2 (0.43) ABCG2NR5A1LTA4HALDH1A1CNR1
SCHEMBL8036650 0.89 ESR1 (0.38) ESR1ESR2APPCNR1

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