SCHEMBL8049235

SCHEMBL8049235

C=CCOc1ccc(-c2ncc(-c3ccc(C=CCCCC(C)O)cc3)cn2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
CYP2D6 P10635 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
SCN5A Q14524 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
SCHEMBL8049228 1.00 NPC1 (0.33) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054641 0.95 NPC1 (0.33) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054648 0.95 NPC1 (0.33) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054652 0.94 MAOB (0.33) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054655 0.94 MAOB (0.33) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8235026 0.93 LMNA (0.36) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8235024 0.93 LMNA (0.36) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054195 0.92 NPC1 (0.37) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8054199 0.92 NPC1 (0.37) NPC1TP53RAB9AMEN1LMNA
SCHEMBL8047621 0.91 NPC1 (0.37) NPC1TP53RAB9AMEN1LMNA

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