SCHEMBL8047327

SCHEMBL8047327

C=CCOc1cnc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.33
FEN1 P39748 5/20 0.33
ATM Q13315 1/20 0.31
KCNA3 P22001 1/20 0.30
MAOB P27338 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
SCHEMBL8047322 1.00 ALOX5AP (0.33) ALOX5APFEN1ATMKCNA3MAOB
SCHEMBL8046188 0.94 FEN1 (0.34) ALOX5APFEN1MAOB
SCHEMBL8046195 0.94 FEN1 (0.34) ALOX5APFEN1MAOB
SCHEMBL8054375 0.93 ATM (0.33) ATM
SCHEMBL8054372 0.93 ATM (0.33) ATM
SCHEMBL8048440 0.92 MEN1 (0.34) ALOX5APFEN1MAOB
SCHEMBL8048438 0.92 MEN1 (0.34) ALOX5APFEN1MAOB
SCHEMBL8036837 0.90 NPC1 (0.37) ALOX5APFEN1KCNA3MAOB
SCHEMBL8036832 0.90 NPC1 (0.37) ALOX5APFEN1KCNA3MAOB
SCHEMBL8054652 0.90 MAOB (0.33) ALOX5APFEN1MAOB

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