SCHEMBL28418756

SCHEMBL28418756

CCCCCNC(CS(=O)(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 5/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP14 P50281 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
EPHX2 P34913 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL142363 0.85 GGT1 (0.36) SMN1; SMN2
SCHEMBL142364 0.85 GGT1 (0.36) SMN1; SMN2
SCHEMBL6268494 0.84 NOD1 (0.50) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL14589098 0.81 EPHX1 (0.47) EPHX1MMP8FNTAFNTBEPHX2
SCHEMBL5309803 0.81 NOD1 (0.49) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL12226550 0.80 NOD1 (0.50) NOD1ITGB3ITGA2BCA2MMP2
SCHEMBL25244993 0.79 NOD1 (0.51) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL9831562 0.79 NOD1 (0.58) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL19750215 0.79 NOD1 (0.51) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL3416074 0.79 NOD1 (0.58) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B

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
CN-111187606-B Surfactant for seawater-based recyclable clean fracturing fluid and preparation method thereof 江苏海洋大学 2022-06-14 CN disclosed
CN-111187606-A Surfactant for seawater-based recyclable clean fracturing fluid and preparation method thereof 江苏海洋大学 2020-05-22 CN disclosed