SCHEMBL8047651

SCHEMBL8047651

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.33
FEN1 P39748 11/20 0.33
KCNA3 P22001 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.30
MGAM O43451 3/20 0.30
GAA P10253 3/20 0.30
SI P14410 3/20 0.30
MGAM2 Q2M2H8 3/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL8047646 1.00 ALOX5AP (0.33) ALOX5APFEN1KCNA3NPC1TP53
SCHEMBL8046576 0.95 NPC1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8046583 0.95 NPC1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8051717 0.94 MEN1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8051708 0.94 MEN1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8051183 0.94 NPC1 (0.32) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8051174 0.94 NPC1 (0.32) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8036581 0.92 NPC1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8036586 0.92 NPC1 (0.33) ALOX5APFEN1NPC1TP53RAB9A
SCHEMBL8036837 0.91 NPC1 (0.37) ALOX5APFEN1KCNA3NPC1TP53

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