SCHEMBL8046737

SCHEMBL8046737

C=CCOc1ccc(-c2cc3ccc(C=CCCCC(C)OCCCCC)cc3cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP19A1 P11511 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL8046732 1.00 RAB9A (0.36) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8048991 0.96 NPC1 (0.36) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8048978 0.96 NPC1 (0.36) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8046252 0.90 CNR2 (0.34) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8046246 0.90 CNR2 (0.34) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8046256 0.89 KDM4E (0.37) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8048166 0.89 SRC (0.35) RAB9ANPC1SRCABL1CHRNB2
SCHEMBL8048161 0.89 SRC (0.35) RAB9ANPC1SRCABL1CHRNB2
SCHEMBL8046254 0.89 KDM4E (0.37) RAB9ANPC1CASP3SENP7KDM4E
SCHEMBL8054064 0.89 KDM4E (0.41) RAB9ANPC1CASP3SENP7KDM4E

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