SCHEMBL8046758

SCHEMBL8046758

CCCCCOC(C)CCC/C=C/c1ccc2cc(O)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
PFKFB3 Q16875 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
TLR8 Q9NR97 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL8046761 1.00 LTB4R (0.43) LTB4RPFKFB3CYSLTR2CYSLTR1PPARG
SCHEMBL8051687 0.86 LTB4R (0.36) LTB4RPPARGPPARAMAPTRAB9A
SCHEMBL8051691 0.86 LTB4R (0.36) LTB4RPPARGPPARAMAPTRAB9A
SCHEMBL8047587 0.85 NR5A1 (0.36) LTB4RALDH1A1CNR1CNR2
SCHEMBL8047582 0.85 NR5A1 (0.36) LTB4RALDH1A1CNR1CNR2
SCHEMBL8047468 0.85 ABCG2 (0.38) LTB4RHDAC1HDAC8ALDH1A1CNR1
SCHEMBL8047462 0.85 ABCG2 (0.38) LTB4RHDAC1HDAC8ALDH1A1CNR1
SCHEMBL8048470 0.84 ESR1 (0.44) TLR8MAPT
SCHEMBL8048469 0.84 ESR1 (0.44) TLR8MAPT
SCHEMBL8054130 0.84 LTB4R (0.39) LTB4RPPARGPPARAKDM4EMEN1

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