SCHEMBL9754526

SCHEMBL9754526

CCCCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.54
MMP2 P08253 7/20 0.54
MMP13 P45452 8/20 0.53
MMP1 P03956 5/20 0.53
ADAM17 P78536 3/20 0.53
MMP7 P09237 3/20 0.51
MMP12 P39900 3/20 0.51
ACE P12821 2/20 0.51
CTRC Q99895 1/20 0.44
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
MMP3 P08254 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12933668 1.00 MMP9 (0.54) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL27182979 0.94 MMP13 (0.57) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL10420120 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL7825144 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL10420675 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL10419177 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL10420827 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL27487644 0.88 MMP9 (0.55) MMP9MMP2MMP13MMP1ADAM17
SCHEMBL6683343 0.87 MMP2 (0.68) MMP9MMP2MMP13MMP1MMP7
SCHEMBL27926582 0.84 MMP9 (0.51) MMP9MMP2MMP13MMP1ADAM17

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
JP-3190979-A None JP disclosed
JP-H03190979-A INK FOR BALL POINT PEN TOMBOW PENCIL CO LTD 1991-08-20 JP disclosed