SCHEMBL8048880

SCHEMBL8048880

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc3cc(O)ccc3c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
FTO Q9C0B1 1/20 0.33
NR5A1 Q13285 1/20 0.32
LTA4H P09960 1/20 0.31
CNR1 P21554 3/20 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
SCHEMBL8048891 1.00 RAB9A (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8053779 0.90 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8053784 0.90 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8047500 0.90 NPC1 (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8047496 0.90 NPC1 (0.36) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8048386 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8048390 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL8050927 0.89 ABCG2 (0.35) RAB9ANPC1SMN1; SMN2KDM4EABCG2
SCHEMBL8050925 0.89 ABCG2 (0.35) RAB9ANPC1SMN1; SMN2KDM4EABCG2
SCHEMBL8053968 0.88 ABCG2 (0.38) ABCG2ESR1ESR2

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