SCHEMBL8051883

SCHEMBL8051883

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)O)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
ALOX5 P09917 6/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.32
CNR2 P34972 5/20 0.32
CNR1 P21554 3/20 0.32
GABRA1 P14867 6/20 0.32
GABRB2 P47870 6/20 0.32
POLB P06746 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
SCHEMBL8051878 1.00 PTGS2 (0.37) PTGS2ALOX5HRH3HDAC1HDAC8
SCHEMBL8046477 0.93 PTGS2 (0.35) PTGS2ALOX5HRH3HDAC1HDAC8
SCHEMBL8046474 0.93 PTGS2 (0.35) PTGS2ALOX5HRH3HDAC1HDAC8
SCHEMBL8049254 0.91 HDAC1 (0.37) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL8049250 0.91 HDAC1 (0.37) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL8047718 0.89 PTGS2 (0.34) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL8036885 0.89 PTGS2 (0.34) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL8047719 0.89 PTGS2 (0.34) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL8036884 0.89 PTGS2 (0.34) PTGS2ALOX5HDAC1HDAC8ALDH1A1
SCHEMBL7557688 0.89 PTGS2 (0.35) PTGS2ALOX5HDAC1HDAC8ALDH1A1

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