SCHEMBL3138879

SCHEMBL3138879

CCCC[P+](CCCC)(CCCC)C(C)(C)CCC.CCCC[P+](CCCC)(CCCC)C(C)(C)CCC.O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CA2 P00918 5/20 0.33
CA1 P00915 2/20 0.33
S1PR3 Q99500 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MMP13 P45452 2/20 0.30
MMP1 P03956 1/20 0.30
MMP7 P09237 1/20 0.30
ACE P12821 1/20 0.30
MMP12 P39900 1/20 0.30
MMP9 P14780 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
SCHEMBL1704273 0.83 LCK (0.43) LCKFYNCA2CA1S1PR3
SCHEMBL28638813 0.80 LCK (0.41) LCKFYNCA2CA1S1PR3
Butane SCHEMBL6296727 0.79 LCK (0.52) LCKFYNCA2CA1S1PR3
Butane SCHEMBL6855826 0.76 LCK (0.52) LCKFYNCA2CA1S1PR3
Butane SCHEMBL18192040 0.76 LCK (0.52) LCKFYNCA2CA1S1PR3
Tetrabuthylammonium SCHEMBL31297150 0.74 LCK (0.43) LCKFYNCA2CA1S1PR3
SCHEMBL18192037 0.74 LCK (0.61) LCKFYNCA2CA1
SCHEMBL6292956 0.74 LCK (0.61) LCKFYNCA2CA1
SCHEMBL28638698 0.73 LCK (0.48) LCKFYNCA2CA1S1PR3
SCHEMBL28639304 0.73 LCK (0.55) LCKFYNCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7641819-B2 Biasable transfer composition and member EASTMAN KODAK COMPANY (US) 2010-01-05 US disclosed
US-20070075295-A1 Biasable transfer composition and member EASTMAN KODAK COMPANY 2007-04-05 US disclosed