SCHEMBL8052947

SCHEMBL8052947

CC(O)CCCC=Cc1ccc2nc(-c3ccc(O)c(F)c3F)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MIF P14174 2/20 0.32
MAOB P27338 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL8052943 1.00 MAPT (0.33) MAPTESR1ESR2MIFMAOB
SCHEMBL8044090 0.87 ESR1 (0.32) MAPTESR1ESR2PDE3BPDE3A
SCHEMBL8044087 0.87 ESR1 (0.32) MAPTESR1ESR2PDE3BPDE3A
SCHEMBL8051065 0.87 MAPT (0.31) MAPTMAOB
SCHEMBL8051062 0.87 MAPT (0.31) MAPTMAOB
SCHEMBL8035151 0.86 ESR2 (0.34) MAPTESR1ESR2MAOB
SCHEMBL8035146 0.86 ESR2 (0.34) MAPTESR1ESR2MAOB
SCHEMBL8051130 0.85 APP (0.32) MAPTMIF
SCHEMBL8051134 0.85 APP (0.32) MAPTMIF
SCHEMBL8049771 0.85 NPC1 (0.33) 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