SCHEMBL8037142

SCHEMBL8037142

C=CCOc1ccc2cc(-c3ccc(C=CCCCC(C)O)cc3F)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.32
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
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
SRC P12931 2/20 0.31
TP53 P04637 1/20 0.31
ABL1 P00519 1/20 0.31
ALOX5AP P20292 4/20 0.30
FEN1 P39748 4/20 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
SCHEMBL8037136 1.00 NPC1 (0.41) NPC1RAB9AL3MBTL1CYP2D6MEN1
SCHEMBL8053820 0.97 NPC1 (0.38) NPC1RAB9AL3MBTL1CYP2D6MEN1
SCHEMBL8053822 0.97 NPC1 (0.38) NPC1RAB9AL3MBTL1CYP2D6MEN1
SCHEMBL8051174 0.90 NPC1 (0.32) NPC1RAB9ACYP2D6MEN1LMNA
SCHEMBL8051183 0.90 NPC1 (0.32) NPC1RAB9ACYP2D6MEN1LMNA
SCHEMBL8054206 0.89 MEN1 (0.34) NPC1RAB9ACYP2D6MEN1LMNA
SCHEMBL8054202 0.89 MEN1 (0.34) NPC1RAB9ACYP2D6MEN1LMNA
SCHEMBL8036899 0.89 MAPT (0.36) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL8036901 0.89 MAPT (0.36) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL8037153 0.88 SRC (0.36) NPC1RAB9ACYP2D6MEN1LMNA

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