SCHEMBL8045846

SCHEMBL8045846

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)c(F)c3F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
GAA P10253 4/20 0.34
MGAM O43451 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MAOB P27338 4/20 0.31
MAOA P21397 3/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 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
SCHEMBL8045850 1.00 CYP2D6 (0.39) CYP2D6GAAMGAMSIMGAM2
SCHEMBL8046851 0.99 CYP2D6 (0.40) CYP2D6GAAMGAMSIMGAM2
SCHEMBL8046844 0.99 CYP2D6 (0.40) CYP2D6GAAMGAMSIMGAM2
SCHEMBL8046643 0.91 SRC (0.36) CYP2D6GAAMEN1KMT2ALMNA
SCHEMBL8046647 0.91 SRC (0.36) CYP2D6GAAMEN1KMT2ALMNA
SCHEMBL8051233 0.91 NPC1 (0.40) CYP2D6GAAMGAMSIMGAM2
SCHEMBL8051235 0.91 NPC1 (0.40) CYP2D6GAAMGAMSIMGAM2
SCHEMBL8046296 0.90 CYP2D6 (0.35) CYP2D6PDE3BPDE3AP2RY12MAOB
SCHEMBL8053999 0.90 CYP2D6 (0.35) CYP2D6PDE3BPDE3AP2RY12MAOB
SCHEMBL8054003 0.90 CYP2D6 (0.35) CYP2D6PDE3BPDE3AP2RY12MAOB

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