SCHEMBL4675867

SCHEMBL4675867

C[C](C)C(=O)OCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.36
ACHE P22303 1/20 0.36
CYP19A1 P11511 1/20 0.35
CA1 P00915 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RARB P10826 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PPIA P62937 1/20 0.33
KDM1A O60341 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
SCHEMBL3019526 0.87 TSHR (0.38) TSHRPTPN1ALDH1A1BLMACHE
SCHEMBL4679686 0.86 CA1 (0.45) TSHRALDH1A1ACHECYP19A1CA1
SCHEMBL383961 0.83 TSHR (0.59) TSHRPTPN1ALDH1A1BLMACHE
SCHEMBL7783018 0.83 TSHR (0.36) TSHRPTPN1ALDH1A1BLMACHE
SCHEMBL5316852 0.83 BLM (0.41) TSHRPTPN1BLMACHECYP19A1
SCHEMBL126613 0.82 ALDH1A1 (0.56) TSHRPTPN1ALDH1A1BLMCA1
SCHEMBL27709107 0.82 RARB (0.37) TSHRPTPN1BLMACHECYP19A1
SCHEMBL3010328 0.81 TSHR (0.41) TSHRPTPN1ALDH1A1BLMACHE
SCHEMBL9954983 0.80 TSHR (0.44) TSHRALDH1A1BLMACHECYP19A1
SCHEMBL9954635 0.80 TSHR (0.44) TSHRALDH1A1BLMACHECYP19A1

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 6 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
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