SCHEMBL8046416

SCHEMBL8046416

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(O)cc2F)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR2 P34972 2/20 0.31
USP7 Q93009 1/20 0.31
WNT3A P56704 1/20 0.30
MAPK14 Q16539 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL8046419 1.00 ABCG2 (0.32) ABCG2NPC1RAB9ANFKB1NFKB2
SCHEMBL8054863 0.94 USP7 (0.32) ABCG2NPC1RAB9ASMN1; SMN2USP7
SCHEMBL8054867 0.94 USP7 (0.32) ABCG2NPC1RAB9ASMN1; SMN2USP7
SCHEMBL8047463 0.94 NPC1 (0.36) NPC1RAB9ASMN1; SMN2CNR2USP7
SCHEMBL8047454 0.94 NPC1 (0.36) NPC1RAB9ASMN1; SMN2CNR2USP7
SCHEMBL8045740 0.94 ABCG2 (0.32) ABCG2NPC1RAB9ANFKB1NFKB2
SCHEMBL8045747 0.94 ABCG2 (0.32) ABCG2NPC1RAB9ANFKB1NFKB2
SCHEMBL8049277 0.92 NPC1 (0.36) ABCG2NPC1RAB9ANFKB1NFKB2
SCHEMBL8049284 0.92 NPC1 (0.36) ABCG2NPC1RAB9ANFKB1NFKB2
SCHEMBL8047638 0.90 FEN1 (0.33) ABCG2NPC1RAB9ASMN1; SMN2USP7

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