SCHEMBL8044442

SCHEMBL8044442

CC(O)CCC/C=C/c1ccc(-c2cc3ccc(O)cc3cn2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TYR P14679 2/20 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
SCHEMBL8044445 1.00 PDE3B (0.34) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8034967 0.87 ESR1 (0.38) PDE3BPDE3AP2RY12TYR
SCHEMBL8034963 0.87 ESR1 (0.38) PDE3BPDE3AP2RY12TYR
SCHEMBL8051410 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8051416 0.87 PDE3B (0.38) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8054177 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8054179 0.86 PDE3B (0.32) PDE3BPDE3AP2RY12NPC1RAB9A
SCHEMBL8043666 0.86 MAPK10 (0.40) PDE3BPDE3AP2RY12TYR
SCHEMBL8043669 0.86 MAPK10 (0.40) PDE3BPDE3AP2RY12TYR
SCHEMBL8036705 0.86 NPC1 (0.31) NPC1RAB9AL3MBTL1

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