SCHEMBL8047442

SCHEMBL8047442

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 1/20 0.42
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 5/20 0.36
FLT3 P36888 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8036428 1.00 NPC1 (0.46) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8047443 1.00 NPC1 (0.46) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8036435 1.00 NPC1 (0.46) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8051138 0.92 SRC (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8051139 0.92 SRC (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8051459 0.91 NPC1 (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8047809 0.91 NPC1 (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8051452 0.91 NPC1 (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8047812 0.91 NPC1 (0.40) NPC1TP53RAB9ACYP2D6SLC5A1
SCHEMBL8046607 0.91 NPC1 (0.41) NPC1TP53RAB9ACYP2D6SLC5A1

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