SCHEMBL8054027

SCHEMBL8054027

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)cc3)cn2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR5A1 Q13285 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
SCHEMBL8054030 1.00 NPC1 (0.34) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8051259 0.95 RAB9A (0.39) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8051256 0.95 RAB9A (0.39) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8054476 0.93 DEGS1 (0.31) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8054478 0.93 DEGS1 (0.31) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8048942 0.91 ABCG2 (0.31) NPC1RAB9ANR5A1
SCHEMBL8048938 0.91 ABCG2 (0.31) NPC1RAB9ANR5A1
SCHEMBL8036748 0.90 NPC1 (0.36) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8036746 0.90 NPC1 (0.36) NPC1MAPTSTAT3RAB9AATM
SCHEMBL8046568 0.90 CNR2 (0.34) NR5A1

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