SCHEMBL8518064

SCHEMBL8518064

C=CCOCC(C)OC(C)COCC=C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
CA7 P43166 1/20 0.45
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL24220212 0.91 CA1 (0.43) CA1CA2CA9CA7MEN1
SCHEMBL28385898 0.89 MEN1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL16361587 0.83 CA1 (0.45) CA1CA2CA9CA7MEN1
SCHEMBL733880 0.83
SCHEMBL827408 0.83 CA1 (0.45) CA1CA2CA9CA7MEN1
SCHEMBL31756334 0.81 CA1 (0.43) CA1CA2CA9CA7MEN1
SCHEMBL176303 0.81
SCHEMBL11566704 0.80 CA1 (0.43) CA1CA2CA9CA7
SCHEMBL7524404 0.79 CA1 (0.42) CA1CA2CA9CA7MEN1
SCHEMBL3690008 0.79 CA1 (0.42) CA1CA2CA9CA7MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894812-A1 Reinforcing graft polymers made in perfluorocarbon fluids BASF CORPORATION (US) 1999-02-03 EP disclosed
US-4256900-A Fluorescent azolyl benzocoumarin dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4235985-A ORGANOSILOXANE-CONTAINING POLYMETHACRYLATE TOYO CONTACT LENS CO., LTD. (JP) 1980-11-25 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed