SCHEMBL8048608

SCHEMBL8048608

CCCCCOC(C)CCC/C=C/c1cnc(-c2ccc(O)cc2F)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
RARB P10826 1/20 0.32
CNR2 P34972 3/20 0.31
USP7 Q93009 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR5A1 Q13285 1/20 0.31
CNR1 P21554 1/20 0.31
LTA4H P09960 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
SCHEMBL8048611 1.00 ABCG2 (0.33) ABCG2RARBCNR2USP7ALDH1A1
SCHEMBL8048484 0.94 RARB (0.37) ABCG2RARBCNR2USP7NPC1
SCHEMBL8048489 0.94 RARB (0.37) ABCG2RARBCNR2USP7NPC1
SCHEMBL8036891 0.93 ABCG2 (0.34) ABCG2RARBUSP7
SCHEMBL8036888 0.93 ABCG2 (0.34) ABCG2RARBUSP7
SCHEMBL8048645 0.91 ABCG2 (0.33) ABCG2RARBCNR2ALDH1A1CNR1
SCHEMBL8048641 0.91 ABCG2 (0.33) ABCG2RARBCNR2ALDH1A1CNR1
SCHEMBL8046603 0.90 ABCG2 (0.35) ABCG2RARBUSP7NPC1RAB9A
SCHEMBL8046609 0.90 ABCG2 (0.35) ABCG2RARBUSP7NPC1RAB9A
SCHEMBL8047959 0.89 ABCG2 (0.34) ABCG2RARBUSP7MEN1NPC1

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