SCHEMBL8044637

SCHEMBL8044637

CCCCCCCCCCOc1ccc(-c2ncc(Br)cn2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.37
PTPN11 Q06124 3/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
S1PR3 Q99500 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL7461898 1.00 SMPD1 (0.37) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL9341726 0.88 NR5A1 (0.40) THRATHRBSMN1; SMN2
SCHEMBL17809785 0.88 THRB (0.38) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL7463536 0.86 NR5A1 (0.42) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL9343386 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL9346808 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL9345797 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL4813397 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL9346749 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL4811839 0.85 RARB (0.44) THRATHRBALDH1A1HPGDSMN1; SMN2

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