SCHEMBL4673299

SCHEMBL4673299

C[C](C)C(=O)OC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GPR35 Q9HC97 2/20 0.36
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CYP19A1 P11511 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4676851 0.95 EPHX1 (0.47) EPHX1NAAAHTTCA12CA1
SCHEMBL4672536 0.92 EPHX1 (0.50) EPHX1NAAAHTTCA12CA1
SCHEMBL4674791 0.89
SCHEMBL6623051 0.83 EPHX1 (0.48) EPHX1NAAAHTTCA12CA1
SCHEMBL4117455 0.83 EPHX1 (0.38) EPHX1NAAAHTTCA12CA1
SCHEMBL8187988 0.83 EPHX1 (0.38) EPHX1NAAAHTTCA12CA1
SCHEMBL258581 0.83 ALDH1A1 (0.42) EPHX1NAAAHTTCA12CA1
SCHEMBL3013625 0.82 EPHX1 (0.45) EPHX1NAAAHTTCA12CA1
SCHEMBL137825 0.81
SCHEMBL11591531 0.80 EPHX1 (0.50) EPHX1NAAAHTTCA12CA1

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
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP 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