SCHEMBL4673121

SCHEMBL4673121

CC(O)CC(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.46
CYP19A1 P11511 4/20 0.45
EPHX1 P07099 2/20 0.43
CACNA1B Q00975 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL18933032 1.00 NAAA (0.49) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL4679069 0.98 CYP2C19 (0.51) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL5426868 0.98 CYP2C19 (0.51) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL5907609 0.96 NAAA (0.44) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL5907661 0.92 CYP19A1 (0.40) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL23270918 0.86 NAAA (0.50) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL5435970 0.85 CYP19A1 (0.50) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL5435968 0.85 CYP19A1 (0.50) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL872809 0.84 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1EPHX1
SCHEMBL23270910 0.84 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1EPHX1

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-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
US-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US 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