SCHEMBL8046129

SCHEMBL8046129

CC(O)CCC/C=C/c1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
APP P05067 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8049285 1.00 RAB9A (0.49) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8049281 1.00 RAB9A (0.49) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8046131 1.00 RAB9A (0.49) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8046717 0.93 MEN1 (0.37) RAB9ANPC1KMT2AMEN1HDAC3
SCHEMBL8046711 0.93 MEN1 (0.37) RAB9ANPC1KMT2AMEN1HDAC3
SCHEMBL8047317 0.92 MEN1 (0.42) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8047313 0.92 MEN1 (0.42) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8045905 0.91 MEN1 (0.35) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8045899 0.91 MEN1 (0.35) RAB9ANPC1KMT2AMEN1APP
SCHEMBL8045663 0.90 NPC1 (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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