SCHEMBL8048474

SCHEMBL8048474

CCCCCOC(C)CCCC=Cc1ncc2cc(-c3ccc(O)cc3)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
NR5A1 Q13285 1/20 0.32
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31
LTA4H P09960 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
PTPN11 Q06124 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
SCHEMBL8048471 1.00 PPARG (0.33) PPARGPPARANR5A1ESR1ESR2
SCHEMBL8046667 0.92 PPARG (0.33) PPARGPPARANR5A1ESR1ESR2
SCHEMBL8046663 0.92 PPARG (0.33) PPARGPPARANR5A1ESR1ESR2
SCHEMBL8051041 0.89 MGLL (0.33) PPARGPPARAESR1ESR2
SCHEMBL8051044 0.89 MGLL (0.33) PPARGPPARAESR1ESR2
SCHEMBL8054200 0.89 ESR1 (0.34) ESR1ESR2
SCHEMBL8054193 0.89 ESR1 (0.34) ESR1ESR2
SCHEMBL8048087 0.88 CNR2 (0.35)
SCHEMBL8048090 0.88 CNR2 (0.35)
SCHEMBL8046408 0.87 NR5A1 (0.38) NR5A1ESR1ESR2LTA4HABCG2

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