SCHEMBL8051284

SCHEMBL8051284

C=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
MCHR1 Q99705 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 4/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 1/20 0.32
MGAM O43451 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32

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
SCHEMBL8051286 1.00 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MCHR1
SCHEMBL8054618 1.00 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MCHR1
SCHEMBL8054610 1.00 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MCHR1
SCHEMBL8054121 0.91 SRC (0.40) CYP2D6MAPTSRCABL1MEN1
SCHEMBL8054124 0.91 SRC (0.40) CYP2D6MAPTSRCABL1MEN1
SCHEMBL8047842 0.89 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MAPT
SCHEMBL8037238 0.89 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MAPT
SCHEMBL8047845 0.89 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MAPT
SCHEMBL8037242 0.89 CYP2D6 (0.39) CYP2D6NPC1RAB9ATP53MAPT
SCHEMBL7555251 0.89 CYP2D6 (0.34) CYP2D6NPC1RAB9ATP53MCHR1

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