SCHEMBL27447331

SCHEMBL27447331

Cc1cc(C)c(OI)c(S(=O)(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
RAPGEF4 Q8WZA2 5/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.31
GAA P10253 3/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
PTGES O14684 1/20 0.31
POLB P06746 2/20 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
SCHEMBL18700928 0.83 F2 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27357250 0.81 KDM4E (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2884819 0.74 CA1 (0.42) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7707792 0.72 CA1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27452470 0.72 LCK (0.39) ALDH1A1GAALMNACASP6TDP1
SCHEMBL8365909 0.72 ALDH1A1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL11746428 0.72 CA1 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1364945 0.71 KDM4E (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL29633914 0.71 KDM4E (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2059007 0.71 CA1 (0.39) F2PRSS1PRSS2PRSS3CA1

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-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed