SCHEMBL8036609

SCHEMBL8036609

C=CCc1ccc2cc(C=CCCCC(C)OCCCCC)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.33
LTB4R Q15722 1/20 0.32
CYSLTR2 Q9NS75 3/20 0.31
CYSLTR1 Q9Y271 3/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL8036604 1.00 GPBAR1 (0.33) GPBAR1LTB4RCYSLTR2CYSLTR1MAPK1
SCHEMBL8047396 0.87
SCHEMBL8047391 0.87
SCHEMBL8046741 0.86
SCHEMBL8046745 0.86
SCHEMBL8051111 0.86 CNR2 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL8051116 0.86 CNR2 (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL8036836 0.85 TLR8 (0.32) LTB4RPPARGPPARA
SCHEMBL8036840 0.85 TLR8 (0.32) LTB4RPPARGPPARA
SCHEMBL8051204 0.85

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