SCHEMBL8036661

SCHEMBL8036661

C=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
GABRA1 P14867 8/20 0.33
GABRB2 P47870 8/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GABRB1 P18505 1/20 0.33
RXRA P19793 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ACE2 Q9BYF1 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
SCHEMBL8036664 1.00 ALOX5 (0.34) ALOX5ESR1ESR2AKR1C3AKR1C2
SCHEMBL8054392 0.96 ALOX5 (0.34) ALOX5ESR1ESR2AKR1C3AKR1C2
SCHEMBL8054386 0.96 ALOX5 (0.34) ALOX5ESR1ESR2AKR1C3AKR1C2
SCHEMBL8049109 0.91 ALOX5 (0.35) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8049116 0.91 ALOX5 (0.35) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8046675 0.90 ALOX5 (0.34) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8046672 0.90 ALOX5 (0.34) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8051333 0.89 KCNA3 (0.37) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8051328 0.89 KCNA3 (0.37) ALOX5CNR2CNR1GABRA1GABRB2
SCHEMBL8049315 0.88 KCNA3 (0.36) ALOX5CNR2CNR1GABRA1GABRB2

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