SCHEMBL8051063

SCHEMBL8051063

C=CCc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAOB P27338 2/20 0.34
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
KCNA3 P22001 1/20 0.31
ALOX5 P09917 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
SCHEMBL8051060 1.00 MAPT (0.36) MAPTESR1ESR2MAOBPDE3B
SCHEMBL8036779 0.94 MAPT (0.36) MAPTESR1ESR2MAOBPDE3B
SCHEMBL8036782 0.94 MAPT (0.36) MAPTESR1ESR2MAOBPDE3B
SCHEMBL7561366 0.90 MAPT (0.32) MAPTESR1ESR2MAOB
SCHEMBL7561370 0.90 MAPT (0.32) MAPTESR1ESR2MAOB
SCHEMBL8053732 0.87
SCHEMBL8053724 0.87
SCHEMBL8046238 0.86 ESR1 (0.49) MAPTESR1ESR2MAOBPDE3B
SCHEMBL8046231 0.86 ESR1 (0.49) MAPTESR1ESR2MAOBPDE3B
SCHEMBL8046305 0.86 APP (0.31) MAPTPDE3BPDE3AP2RY12

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