SCHEMBL8048862

SCHEMBL8048862

C=CCOc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)O)cn3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
KDM4E B2RXH2 7/20 0.32
ALDH1A1 P00352 7/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 6/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
SRC P12931 2/20 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
SCHEMBL8048867 1.00 RAB9A (0.38) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8036419 0.99 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8036423 0.99 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8036651 0.96 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8048552 0.96 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8048545 0.96 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8036657 0.96 RAB9A (0.39) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8053860 0.95 RAB9A (0.37) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8053857 0.95 RAB9A (0.37) RAB9ANPC1TP53CYP2D6MAPT
SCHEMBL8046208 0.94 RAB9A (0.38) RAB9ANPC1TP53CYP2D6MAPT

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