SCHEMBL5839107

SCHEMBL5839107

OCC(COCc1ccccc1)OO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ TSHR P16473 2/20 0.50
▸ TACR1 P25103 2/20 0.46
▸ SLC1A1 P43005 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL828589 0.85 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL8904530 0.85 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL4537628 0.85 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL3080042 0.84 KMT2A (0.51) CA1CA2CA7CA9TSHR
SCHEMBL9121966 0.84 KMT2A (0.51) CA1CA2CA7CA9TSHR
SCHEMBL10564876 0.84 KMT2A (0.51) CA1CA2CA7CA9TSHR
SCHEMBL19068463 0.82 CA1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL1105206 0.81 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL17044689 0.81 SLC1A1 (0.48) CA1CA2CA7CA9TSHR
SCHEMBL5831617 0.81 CA1 (0.47) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 — — US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 — — US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 — — EP disclosed
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