SCHEMBL8036668

SCHEMBL8036668

[CH]=CC(C)OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL18726367 0.93
SCHEMBL18726366 0.83
SCHEMBL1378620 0.82 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL14232137 0.80 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL27668890 0.80 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL5073007 0.80 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL10494286 0.80 DNM1 (0.45) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL8587437 0.79 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL11780245 0.77 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL9323325 0.77 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2LPAR1

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