SCHEMBL8049028

SCHEMBL8049028

CC(O)CCC/C=C/c1ccc(-c2cnc(O)nc2)cc1F

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
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ERN1 O75460 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GRIN2B Q13224 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
SCHEMBL8049034 1.00 PDE3B (0.32) PDE3BPDE3AP2RY12CYP11B1CYP11B2
SCHEMBL8034827 0.99 PDE3B (0.32) PDE3BPDE3AP2RY12CYP11B1CYP11B2
SCHEMBL8034821 0.99 PDE3B (0.32) PDE3BPDE3AP2RY12CYP11B1CYP11B2
SCHEMBL8052634 0.90 ERN1 (0.32) PDE3BPDE3AP2RY12ERN1
SCHEMBL8052640 0.90 ERN1 (0.32) PDE3BPDE3AP2RY12ERN1
SCHEMBL8035369 0.89 PDE3B (0.36) PDE3BPDE3AP2RY12
SCHEMBL8035372 0.89 PDE3B (0.36) PDE3BPDE3AP2RY12
SCHEMBL8044547 0.89 ERN1 (0.32) PDE3BPDE3AP2RY12ERN1
SCHEMBL8044552 0.89 ERN1 (0.32) PDE3BPDE3AP2RY12ERN1
SCHEMBL8049367 0.87 MEN1 (0.40) 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