SCHEMBL8047131

SCHEMBL8047131

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
RARB P10826 4/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
AHR P35869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TNNC1 P63316 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 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
SCHEMBL8036844 1.00 NPC1 (0.38) NPC1TP53RAB9ARARBABCG2
SCHEMBL8047135 1.00 NPC1 (0.38) NPC1TP53RAB9ARARBABCG2
SCHEMBL8036838 1.00 NPC1 (0.38) NPC1TP53RAB9ARARBABCG2
SCHEMBL8037755 0.93 SRC (0.38)
SCHEMBL8037753 0.93 SRC (0.38)
SCHEMBL8046470 0.92 NPC1 (0.40) NPC1TP53RAB9ARARBABCG2
SCHEMBL8046466 0.92 NPC1 (0.40) NPC1TP53RAB9ARARBABCG2
SCHEMBL8036497 0.92 L3MBTL1 (0.35) NPC1TP53RAB9AABCG2AHR
SCHEMBL8048166 0.92 SRC (0.35) NPC1TP53RAB9ARARBAHR
SCHEMBL8046254 0.92 KDM4E (0.37) NPC1TP53RAB9AABCG2AHR

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