SCHEMBL8733191

SCHEMBL8733191

CCCCCCCCCCS(=O)(=O)NC(CCc1ccccc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PTPN1 P18031 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL8728179 0.92 SIRT2 (0.47) BIRC2ITGB3ITGA2BSIRT2SIRT1
SCHEMBL5604046 0.88 CA12 (0.56) BIRC2ITGB3ITGA2BCA12CA2
SCHEMBL8733195 0.84 BIRC2 (0.45) BIRC2SIRT2SIRT1SIRT3CA12
SCHEMBL16938448 0.82 CA2 (0.48) ITGB3ITGA2BCA12CA2CA7
SCHEMBL8734416 0.82 ZDHHC7 (0.50) BIRC2ITGB3ITGA2BCA2
SCHEMBL10769571 0.81 ITGB3 (0.50) ITGB3ITGA2BPTPN1CA2MMP9
SCHEMBL8734422 0.79 ASAH2 (0.43) PTPN1MMP1MMP9MMP13
SCHEMBL4067325 0.79 ITGB3 (0.61) ITGB3ITGA2BPTPN1POLBMMP9
SCHEMBL5603960 0.79 ITGB3 (0.61) ITGB3ITGA2BPTPN1POLBMMP9
SCHEMBL7622370 0.79 ITGB3 (0.61) ITGB3ITGA2BPTPN1POLBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP disclosed