SCHEMBL8046448

SCHEMBL8046448

C=CCOc1ccc(-c2ccc(C=CCCCC(C)O)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
MAOB P27338 3/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
MAOA P21397 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 5/20 0.33
MGAM O43451 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
PTPN1 P18031 1/20 0.32
SRC P12931 2/20 0.31
ABL1 P00519 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
SCHEMBL8051470 1.00 CYP2D6 (0.37) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8046442 1.00 CYP2D6 (0.37) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8051474 1.00 CYP2D6 (0.37) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8046964 0.94 SRC (0.38) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8046970 0.94 SRC (0.38) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8047641 0.91 CYP2D6 (0.33) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8047643 0.91 CYP2D6 (0.33) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8047455 0.91 CYP4F2 (0.33) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8036702 0.91 MAOB (0.33) CYP2D6MAOBPDE3BPDE3AP2RY12
SCHEMBL8036697 0.91 MAOB (0.33) CYP2D6MAOBPDE3BPDE3AP2RY12

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