SCHEMBL4673230

SCHEMBL4673230

CC(C)CCOC(=O)C(C)S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
SLC22A1 O15245 1/20 0.35

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
SCHEMBL4672718 0.86 BLM (0.36) CA1CA12CA2CA9CYP19A1
SCHEMBL1171440 0.85 ALDH1A1 (0.36) ALDH1A1TDP1LMNACHRNB2CHRNA4
SCHEMBL3963352 0.83 RARB (0.38) CYP19A1ALDH1A1LMNA
SCHEMBL10592374 0.81 RARB (0.37) CYP19A1ALDH1A1PKMKDM4EGAA
SCHEMBL27850405 0.81 RARB (0.37) CYP19A1ALDH1A1LMNA
SCHEMBL17599991 0.80 CHRNB2 (0.33) CYP19A1ALDH1A1PKMKDM4EGAA
SCHEMBL10712927 0.80 RNPEP (0.45) CYP19A1ALDH1A1TDP1LMNACHRNB2
SCHEMBL6003516 0.80 FAAH (0.35) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1869451 0.80 CA1 (0.48) CA1CA12CA2CA9CYP19A1
SCHEMBL351059 0.80 CA1 (0.48) CA1CA12CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
CN-1321978-C Process for synthesizing 2-(diphenyl methyl sulfinyl) acetamide UNIV ZHEJIANG TECHNOLOGY (CN) 2007-06-20 CN disclosed
CN-1699334-A Process for synthesizing 2-(diphenyl methyl sulfinyl) acetamide UNIV ZHEJIANG TECHNOLOGY (CN) 2005-11-23 CN disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed