SCHEMBL8049359

SCHEMBL8049359

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.38
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
MITF O75030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FLT3 P36888 1/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
MEN1 O00255 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
SCHEMBL8049364 1.00 NPC1 (0.41) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8046602 0.91 NPC1 (0.41) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8036423 0.91 RAB9A (0.39) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8036419 0.91 RAB9A (0.39) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8046607 0.91 NPC1 (0.41) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8036435 0.91 NPC1 (0.46) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8047442 0.91 NPC1 (0.46) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8047443 0.91 NPC1 (0.46) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8036428 0.91 NPC1 (0.46) NPC1RAB9ATP53CYP2D6SLC5A1
SCHEMBL8048552 0.91 RAB9A (0.39) NPC1RAB9ATP53CYP2D6SLC5A1

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