SCHEMBL8047711

SCHEMBL8047711

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.39
LTB4R Q15722 1/20 0.35
NR5A1 Q13285 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ABL1 P00519 2/20 0.32
LTA4H P09960 1/20 0.32
HSD17B1 P14061 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
SRC P12931 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL8047714 1.00 FTO (0.39) FTOLTB4RNR5A1CYP19A1CYP11B1
SCHEMBL8047587 0.90 NR5A1 (0.36) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8047582 0.90 NR5A1 (0.36) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8054120 0.90 NR5A1 (0.37) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8036628 0.90 NR5A1 (0.37) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8054123 0.90 NR5A1 (0.37) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8036620 0.90 NR5A1 (0.37) LTB4RNR5A1LTA4HCNR2CNR1
SCHEMBL8050927 0.86 ABCG2 (0.35) FTONR5A1LTA4HCNR2CNR1
SCHEMBL8050925 0.86 ABCG2 (0.35) FTONR5A1LTA4HCNR2CNR1
SCHEMBL8053968 0.86 ABCG2 (0.38) ABL1ABCB1BCRESR1ESR2

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