SCHEMBL8051691

SCHEMBL8051691

CCCCCOC(C)CCCC=Cc1cnc2cc(O)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.36
NR5A1 Q13285 1/20 0.32
CNR2 P34972 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.32
LTA4H P09960 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PPARG P37231 3/20 0.31
PPARA Q07869 2/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL8051687 1.00 LTB4R (0.36) LTB4RNR5A1CNR2ALDH1A1CNR1
SCHEMBL8048970 0.92 LTB4R (0.34) LTB4RNR5A1LTA4HESR1ESR2
SCHEMBL8048965 0.92 LTB4R (0.34) LTB4RNR5A1LTA4HESR1ESR2
SCHEMBL8048961 0.89 JAK1 (0.34) LTB4RESR1ESR2
SCHEMBL8048956 0.89 JAK1 (0.34) LTB4RESR1ESR2
SCHEMBL8046758 0.86 LTB4R (0.43) LTB4RCNR2ALDH1A1CNR1MAPT
SCHEMBL8046761 0.86 LTB4R (0.43) LTB4RCNR2ALDH1A1CNR1MAPT
SCHEMBL8049617 0.85 MGLL (0.33) LTB4RCNR1ESR1ESR2
SCHEMBL8049620 0.85 MGLL (0.33) LTB4RCNR1ESR1ESR2
SCHEMBL8051536 0.85 NPC1 (0.39) ALDH1A1MAPTESR1ESR2RAB9A

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