SCHEMBL8047775

SCHEMBL8047775

C=CCc1ccc(-c2ccc(-c3cnc(C=CCCCC(C)O)nc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP1A2 P05177 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
SCHEMBL8047771 1.00 CNR2 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8047619 1.00 CNR2 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8047614 1.00 CNR2 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL7555273 0.88 CNR2 (0.31) CNR2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL7555276 0.88 CNR2 (0.31) CNR2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL8054381 0.88 ALDH1A1 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8037007 0.88 ALDH1A1 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8037006 0.88 ALDH1A1 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8054382 0.88 ALDH1A1 (0.33) CNR2CNR1GABRA1GABRB2PTGS2
SCHEMBL8053948 0.88 ALOX5AP (0.34) CNR2CNR1GABRA1GABRB2PTGS2

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