SCHEMBL7526100

SCHEMBL7526100

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 5/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MLYCD O95822 1/20 0.34
PKM P14618 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 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
SCHEMBL16090076 0.90 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL3468211 0.85 CA12 (0.57) CA12CA9CA2TSHRMAPK1
Fluoride SCHEMBL29204690 0.82 CA12 (0.55) CA12CA9CA2TSHRMAPK1
SCHEMBL11512418 0.82 CA12 (0.46) CA12CA9CA2ALDH1A1CA1
SCHEMBL11412702 0.81 CA12 (0.48) CA12CA9CA2TSHRMAPK1
SCHEMBL19570764 0.80 CA12 (0.48) CA12CA9CA2ALDH1A1CA1
SCHEMBL11527911 0.79 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL3468531 0.78 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL14617689 0.78 ALDH1A1 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL1526065 0.78 MAPT (0.43) CA12CA9CA2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1102145-C Process for the prepn. of N, N'-subistituted ureas NOVARTIS AG (CH) 2003-02-26 CN disclosed
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-1225361-A Process for the prepn. of N, N'-subistituted ureas NOVARTIS AG (CH) 1999-08-11 CN disclosed
CN-1043889-C Process for preparing substituted benzenes and benzenesulfonic acids and derivatives thereof NORVARTIS CORP (CH) 1999-06-30 CN disclosed
CN-1198435-A Method for producing fluorescent whitening agent CIBA GEIGY AG (CH) 1998-11-11 CN disclosed
CN-1197065-A Process for production of distyryl-biphenyl fluorescent whitening agents CIBA SC HOLDING AG (CH) 1998-10-28 CN 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-1083480-A Process for preparing substituted benzene or benzenesulfonic acid and derivatives thereof and process for preparing N, N' -substituted ureas CIBA GEIGY AG (US) 1994-03-09 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
EP-0296864-A2 Process for preparing ureas DOWELANCO (US) 1988-12-28 EP disclosed
US-4156769-A Process for making polycarbonates using 1,1-dimethyl urea compounds as the catalysts THE DOW CHEMICAL COMPANY (US) 1979-05-29 US disclosed