SCHEMBL8046622

SCHEMBL8046622

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)OCCCCC)cc3)cn2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
PTPN11 Q06124 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL8046618 1.00 DGAT1 (0.31) DGAT1PTPN11S1PR1S1PR3ALOX5AP
SCHEMBL8051122 0.95 KDM4E (0.32) ALOX5APFEN1
SCHEMBL8051114 0.95 KDM4E (0.32) ALOX5APFEN1
SCHEMBL8046973 0.94 KDM4E (0.34) DGAT1PTPN11S1PR1S1PR3
SCHEMBL8046978 0.94 KDM4E (0.34) DGAT1PTPN11S1PR1S1PR3
SCHEMBL8046015 0.94
SCHEMBL8046010 0.94
SCHEMBL8048905 0.92 KDM4E (0.34) PTPN11S1PR1S1PR3
SCHEMBL8048911 0.92 KDM4E (0.34) PTPN11S1PR1S1PR3
SCHEMBL8036893 0.92 S1PR1 (0.35) PTPN11S1PR1S1PR3

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