SCHEMBL8048175

SCHEMBL8048175

C=CCc1ccc2cc(-c3ccc(C=CCCCC(C)O)c(F)c3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.33
PTGS2 P35354 1/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL8048169 1.00 ALOX5 (0.33) ALOX5PTGS2ESR1ESR2GABRA1
SCHEMBL8051096 0.91 PTGS2 (0.35) ALOX5PTGS2GABRA1GABRB2KDM4E
SCHEMBL8045927 0.91 PTGS2 (0.35) ALOX5PTGS2GABRA1GABRB2KDM4E
SCHEMBL8045930 0.91 PTGS2 (0.35) ALOX5PTGS2GABRA1GABRB2KDM4E
SCHEMBL8051099 0.91 PTGS2 (0.35) ALOX5PTGS2GABRA1GABRB2KDM4E
SCHEMBL8046069 0.89 MAPT (0.34) ALOX5ESR1ESR2MAPT
SCHEMBL8046073 0.89 MAPT (0.34) ALOX5ESR1ESR2MAPT
SCHEMBL8046433 0.89 NPC1 (0.31) PDE3BPDE3AP2RY12
SCHEMBL8046429 0.89 NPC1 (0.31) PDE3BPDE3AP2RY12
SCHEMBL8049131 0.87 ALOX5 (0.36) ALOX5GABRA1GABRB2MEN1GAA

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