SCHEMBL8047632

SCHEMBL8047632

CCCCCOC(C)CCC/C=C/c1ccc(-c2ccc(-c3ccc(O)cc3)cn2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.33
ALOX5AP P20292 10/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
MAOB P27338 1/20 0.31
RARB P10826 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LTB4R Q15722 1/20 0.30
USP7 Q93009 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
SCHEMBL8047638 1.00 FEN1 (0.33) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8054867 0.95 USP7 (0.32) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8054863 0.95 USP7 (0.32) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8047607 0.95 NPC1 (0.39) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8047613 0.95 NPC1 (0.39) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8045747 0.93 ABCG2 (0.32) FEN1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL8045740 0.93 ABCG2 (0.32) FEN1ALOX5APNPC1RAB9ASMN1; SMN2
SCHEMBL8049263 0.91 NPC1 (0.36) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8049258 0.91 NPC1 (0.36) FEN1ALOX5APNPC1MAPTSTAT3
SCHEMBL8047959 0.91 ABCG2 (0.34) FEN1ALOX5APNPC1RAB9AABCG2

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