SCHEMBL7526104

SCHEMBL7526104

CCCN(C)C(=O)N(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.42
CA9 Q16790 5/20 0.42
CA2 P00918 4/20 0.42
EPHX2 P34913 2/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 6/20 0.35
TP53 P04637 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FDPS P14324 1/20 0.33
CA14 Q9ULX7 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ACHE P22303 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
SCHEMBL19288013 0.92 EPHX2 (0.38) CA12CA9CA2EPHX2TSHR
SCHEMBL14617689 0.88 ALDH1A1 (0.39) CA12CA9CA2EPHX2TSHR
SCHEMBL11412702 0.86 CA12 (0.48) CA12CA9CA2EPHX2TSHR
SCHEMBL1618286 0.86 CA12 (0.37) CA12CA9CA2EPHX2TSHR
SCHEMBL11631933 0.82 EPHX2 (0.52) CA12CA9EPHX2TSHRALDH1A1
SCHEMBL10816873 0.80 EPHX2 (0.59) EPHX2ALDH1A1CES2CES1KDM5A
SCHEMBL22451059 0.80 FDPS (0.35) CA12CA9CA2EPHX2TSHR
SCHEMBL42469 0.79
SCHEMBL498779 0.79
SCHEMBL42468 0.79

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873989-B1 Process for the preparation of distyryl-biphenyl compounds CIBA SC HOLDING AG (CH) 2002-03-20 EP disclosed
EP-0849244-B1 Process for the preparation of distyryl-biphenylic compounds CIBA SC HOLDING AG (CH) 2001-06-20 EP disclosed
US-6031126-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-29 US disclosed
US-5969204-A Process for the production of distyryl-biphenyl compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-19 US disclosed
US-5952524-A Process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-14 US disclosed
CN-1198435-A Method for producing fluorescent whitening agent CIBA GEIGY AG (CH) 1998-11-11 CN disclosed
EP-0873988-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP disclosed
EP-0873989-A2 Process for the preparation of distyryl-biphenyl compounds Ciba SC Holding AG (CH) 1998-10-28 EP disclosed
EP-0849244-A1 Process for the preparation of distyryl-biphenylic compounds Ciba SC Holding AG (CH) 1998-06-24 EP disclosed
US-5637763-A Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1997-06-10 US disclosed
US-5508402-A Process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0552586-B1 Process for the production of cyclopropylmethylketone CIBA GEIGY AG (CH) 1995-09-20 EP disclosed
CN-1027537-C Improvements in or relating to carbemate derivatives LILLY CO ELI (US) 1995-02-01 CN disclosed
EP-0584043-A1 Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas CIBA-GEIGY AG (CH) 1994-02-23 EP disclosed
US-5254739-A Heating a-acetylbutyrolactone in presence of a halide CIBA-GEIGY CORPORATION (US) 1993-10-19 US disclosed
EP-0296864-B1 PROCESS FOR PREPARING UREAS DOWELANCO (US) 1993-09-15 EP disclosed
EP-0552586-A1 Process for the production of cyclopropylmethylketone CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4987233-A Process for preparing herbicidal ureas and insecticidal carbamates and carbamate derivatives ELI LILLY AND COMPANY (US) 1991-01-22 US disclosed
CN-1030233-A The improved method of preparation carbamate derivatives LILLY CO ELI (US) 1989-01-11 CN disclosed
EP-0296864-A2 Process for preparing ureas DOWELANCO (US) 1988-12-28 EP disclosed