SCHEMBL8048540

SCHEMBL8048540

CCCCCOC(C)CCC/C=C/c1ccc2nc(-c3ccc(O)cc3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
AR P10275 1/20 0.34
MAPT P10636 7/20 0.33
LTB4R Q15722 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
TLR8 Q9NR97 2/20 0.32
NPC1 O15118 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MIF P14174 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AHR P35869 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
SCHEMBL8048543 1.00 ESR1 (0.41) ESR1ESR2ARMAPTLTB4R
SCHEMBL8048470 0.94 ESR1 (0.44) ESR1ESR2ARMAPTABCG2
SCHEMBL8048469 0.94 ESR1 (0.44) ESR1ESR2ARMAPTABCG2
SCHEMBL8046904 0.89 ESR1 (0.37) ESR1ESR2MAPTMIF
SCHEMBL8046898 0.89 ESR1 (0.37) ESR1ESR2MAPTMIF
SCHEMBL8051116 0.88 CNR2 (0.33) MAPTTLR8NPC1RAB9ASMN1; SMN2
SCHEMBL8051111 0.88 CNR2 (0.33) MAPTTLR8NPC1RAB9ASMN1; SMN2
SCHEMBL8051047 0.87 NPC1 (0.39) ESR1ESR2MAPTABCG2ESRRB
SCHEMBL8051052 0.87 NPC1 (0.39) ESR1ESR2MAPTABCG2ESRRB
SCHEMBL8048907 0.87 LTB4R (0.30) LTB4R

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