SCHEMBL4596089

SCHEMBL4596089

CCCCCCCCCCCCc1ccccc1S(=O)(=O)NC(CCCCCCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.50
MMP2 P08253 9/20 0.50
MMP8 P22894 5/20 0.50
MMP12 P39900 4/20 0.50
MMP14 P50281 4/20 0.50
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
ITGAV P06756 4/20 0.43
ITGB3 P05106 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS4 O75173 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
SCHEMBL4595506 0.98 MMP9 (0.50) MMP9MMP2MMP8MMP12MMP14
SCHEMBL600044 0.80 ITGAV (0.62) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5052275 0.78 GLB1 (0.52)
SCHEMBL16179325 0.78 GLB1 (0.52)
Nitrogen SCHEMBL11894486 0.78 RECQL (0.36) MMP9MMP2MMP8MMP12MMP14
Benzene SCHEMBL6818055 0.77 NOD1 (0.46) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5191279 0.76 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL599969 0.76 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL9594245 0.76 LIPG (0.40) CYSLTR2CYSLTR1CA12CA9
SCHEMBL7829482 0.76 LIPG (0.40) CYSLTR2CYSLTR1CA12CA9

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-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP disclosed