SCHEMBL8048947

SCHEMBL8048947

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cc3F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.36
GAA P10253 4/20 0.35
MGAM O43451 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
MAOB P27338 4/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
MAOA P21397 3/20 0.33
ALDH2 P05091 1/20 0.33
APP P05067 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8048951 1.00 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8036837 0.99 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8036832 0.99 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8054385 0.95 NPC1 (0.38) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8054389 0.95 NPC1 (0.38) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8050997 0.95 NPC1 (0.38) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8051000 0.95 NPC1 (0.38) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8054195 0.94 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8054199 0.94 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA
SCHEMBL8047617 0.93 NPC1 (0.37) NPC1TP53RAB9ACYP2D6GAA

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