SCHEMBL8046474

SCHEMBL8046474

C=CCc1ccc(-c2ccc3cc(/C=C/CCCC(C)O)ccc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNA3 P22001 1/20 0.31
ALOX5 P09917 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL8046477 1.00 PTGS2 (0.35) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8051878 0.93 PTGS2 (0.37) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8051883 0.93 PTGS2 (0.37) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8049254 0.91 HDAC1 (0.37) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8049250 0.91 HDAC1 (0.37) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8047718 0.89 PTGS2 (0.34) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8036885 0.89 PTGS2 (0.34) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8047719 0.89 PTGS2 (0.34) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL8036884 0.89 PTGS2 (0.34) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL7557378 0.89 PTGS2 (0.33) PTGS2HDAC1HDAC8SMN1; SMN2ALDH1A1

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