SCHEMBL4595506

SCHEMBL4595506

CCCCCCCCCCCCc1ccccc1S(=O)(=O)NC(CCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

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 3/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS4 O75173 1/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 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
SCHEMBL4596089 0.98 MMP9 (0.50) MMP9MMP2MMP8MMP12MMP14
SCHEMBL600044 0.82 ITGAV (0.62) MMP9MMP2MMP8MMP12MMP14
SCHEMBL5191279 0.79 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
SCHEMBL599969 0.79 MMP9 (0.64) MMP9MMP2MMP8MMP12MMP14
2-Ethylhexanoic Acid SCHEMBL9122425 0.77 MAPK1 (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL7829482 0.76 LIPG (0.40) CYSLTR2CYSLTR1CA12CA9
SCHEMBL9594245 0.76 LIPG (0.40) CYSLTR2CYSLTR1CA12CA9BID
SCHEMBL5052275 0.76 GLB1 (0.52)
SCHEMBL28534049 0.76 LIPG (0.45) CYSLTR2CYSLTR1CA12CA9BID
Nitrogen SCHEMBL11894486 0.75 RECQL (0.36) MMP9MMP2MMP8MMP12MMP14

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