SCHEMBL8049131

SCHEMBL8049131

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)O)c(F)c3F)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.36
GABRA1 P14867 7/20 0.33
GABRB2 P47870 7/20 0.33
CNR2 P34972 5/20 0.32
CNR1 P21554 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GABRB1 P18505 1/20 0.32
RXRA P19793 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
KMT2A Q03164 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL8049126 1.00 ALOX5 (0.36) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL8049229 0.90 ALOX5 (0.33) ALOX5
SCHEMBL8049226 0.90 ALOX5 (0.33) ALOX5
SCHEMBL8054237 0.89 ALOX5 (0.32) ALOX5
SCHEMBL8054233 0.89 ALOX5 (0.32) ALOX5
SCHEMBL8048647 0.87 MAPT (0.31) MAPT
SCHEMBL8048653 0.87 MAPT (0.31) MAPT
SCHEMBL8048175 0.87 ALOX5 (0.33) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL8048169 0.87 ALOX5 (0.33) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL8046643 0.86 SRC (0.36) MEN1GAAMAPTKMT2A

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