SCHEMBL8049176

SCHEMBL8049176

C=CCOc1ccc2nc(/C=C/CCCC(C)O)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
LTB4R Q15722 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 2/20 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
SCHEMBL8049181 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8051732 0.92 CYP2D6 (0.36) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8051738 0.92 CYP2D6 (0.36) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8600098 0.90 CA12 (0.35) CYP2D6LMNASMN1; SMN2NPSR1CA12
SCHEMBL8600091 0.90 CA12 (0.35) CYP2D6LMNASMN1; SMN2NPSR1CA12
SCHEMBL8053770 0.88 PDE3B (0.34) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8053775 0.88 PDE3B (0.34) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8045892 0.87 PDE3B (0.41) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8045894 0.87 PDE3B (0.41) PDE3BPDE3AP2RY12CYP2D6LMNA
SCHEMBL8047653 0.84 APP (0.40) PDE3BPDE3AP2RY12SMN1; SMN2MAPT

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