SCHEMBL6570952

SCHEMBL6570952

O=C1CCCCC1=O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.50
TRIM33 Q9UPN9 2/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
CRBN Q96SW2 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 1/20 0.35
FKBP5 Q13451 1/20 0.35
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CDC25B P30305 1/20 0.30
KMT2A Q03164 1/20 0.30
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL8373618 1.00
SCHEMBL33935 0.95
SCHEMBL17971494 0.95 TRIM24 (0.54) TRIM24TRIM33ALDH1A1SMN1; SMN2CRBN
SCHEMBL10391044 0.91 ALDH1A1 (0.57) TRIM24TRIM33ALDH1A1SMN1; SMN2CRBN
SCHEMBL9576029 0.91 ALDH1A1 (0.57) TRIM24TRIM33ALDH1A1SMN1; SMN2CRBN
Water SCHEMBL28338483 0.91 TRIM24 (0.50) TRIM24TRIM33ALDH1A1SMN1; SMN2CRBN
SCHEMBL4279279 0.91
SCHEMBL1552637 0.91
SCHEMBL2322944 0.91 ALDH1A1 (0.57) TRIM24TRIM33ALDH1A1SMN1; SMN2CRBN
SCHEMBL4976792 0.91

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
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed