SCHEMBL8048166

SCHEMBL8048166

C=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)OCCCCC)ccc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.35
ABL1 P00519 2/20 0.35
RARB P10826 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
AHR P35869 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 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
SCHEMBL8048161 1.00 SRC (0.35) SRCABL1RARBCA12CA1
SCHEMBL8037753 0.95 SRC (0.38) SRCABL1CA12CA1CA9
SCHEMBL8037755 0.95 SRC (0.38) SRCABL1CA12CA1CA9
SCHEMBL8051357 0.93 CA12 (0.37) SRCABL1CA12CA1CA9
SCHEMBL8051360 0.93 CA12 (0.37) SRCABL1CA12CA1CA9
SCHEMBL8036838 0.92 NPC1 (0.38) RARBNPC1TP53RAB9AAHR
SCHEMBL8047131 0.92 NPC1 (0.38) RARBNPC1TP53RAB9AAHR
SCHEMBL8036844 0.92 NPC1 (0.38) RARBNPC1TP53RAB9AAHR
SCHEMBL8047135 0.92 NPC1 (0.38) RARBNPC1TP53RAB9AAHR
SCHEMBL8036812 0.89 SRC (0.35) SRCABL1CA12CA1CA9

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