SCHEMBL8046319

SCHEMBL8046319

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)c(F)c2F)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
APP P05067 4/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TNNC1 P63316 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
SCHEMBL8046317 1.00 NPC1 (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8050862 0.94 KDM4E (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1TNNC1
SCHEMBL8050865 0.94 KDM4E (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1TNNC1
SCHEMBL8048994 0.94 ALDH1A1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8048993 0.94 ALDH1A1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8048924 0.92 KDM4E (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8048930 0.92 KDM4E (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8051517 0.89 CNR2 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8051511 0.89 CNR2 (0.31) ALDH1A1CNR1CNR2
SCHEMBL8036700 0.89 APP (0.32) NPC1RAB9AAPPCNR2

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