SCHEMBL8047587

SCHEMBL8047587

CCCCCOC(C)CCCC=Cc1cc2ccc(O)cc2cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.36
LTB4R Q15722 1/20 0.35
LTA4H P09960 1/20 0.34
CNR2 P34972 5/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CNR1 P21554 4/20 0.33
ALDH1A1 P00352 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
SCHEMBL8047582 1.00 NR5A1 (0.36) NR5A1LTB4RLTA4HCNR2ABCG2
SCHEMBL8047714 0.90 FTO (0.39) NR5A1LTB4RLTA4HCNR2CNR1
SCHEMBL8047711 0.90 FTO (0.39) NR5A1LTB4RLTA4HCNR2CNR1
SCHEMBL8047468 0.87 ABCG2 (0.38) NR5A1LTB4RLTA4HCNR2ABCG2
SCHEMBL8047462 0.87 ABCG2 (0.38) NR5A1LTB4RLTA4HCNR2ABCG2
SCHEMBL8047496 0.86 NPC1 (0.36) NR5A1ABCG2ALDH1A1
SCHEMBL8047500 0.86 NPC1 (0.36) NR5A1ABCG2ALDH1A1
SCHEMBL8046761 0.85 LTB4R (0.43) LTB4RCNR2CNR1ALDH1A1
SCHEMBL8046758 0.85 LTB4R (0.43) LTB4RCNR2CNR1ALDH1A1
SCHEMBL8046468 0.85 CA12 (0.35) LTB4R

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