SCHEMBL8046091

SCHEMBL8046091

C=CCOc1cnc2cc(C=CCCCC(C)O)ccc2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
ATM Q13315 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2D6 P10635 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
SCHEMBL8046085 1.00 PDE3B (0.32) PDE3BPDE3AP2RY12ATMMAPT
SCHEMBL8036907 0.92 PDE3B (0.32) PDE3BPDE3AP2RY12ATM
SCHEMBL8036909 0.92 PDE3B (0.32) PDE3BPDE3AP2RY12ATM
SCHEMBL8598382 0.90 MET (0.30)
SCHEMBL8598380 0.90 MET (0.30)
SCHEMBL8051008 0.89 ALOX5AP (0.31) ATM
SCHEMBL8051005 0.89 ALOX5AP (0.31) ATM
SCHEMBL8046006 0.86 PDE3B (0.34) PDE3BPDE3AP2RY12ATMMAPT
SCHEMBL8045999 0.86 PDE3B (0.34) PDE3BPDE3AP2RY12ATMMAPT
SCHEMBL8046750 0.84 PDE3B (0.31) PDE3BPDE3AP2RY12

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