SCHEMBL11304535

SCHEMBL11304535

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)cc(OC)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8080612 0.87 CA1 (0.38) POLBCA1CA2MMP1MMP2
SCHEMBL11313797 0.85 HSD17B10 (0.37) POLBTSHRMAPK1CA1CA2
SCHEMBL4665308 0.84 MAPT (0.45) POLBTSHRMAPK1CA1CA2
SCHEMBL6935513 0.81 ALDH1A1 (0.37) TSHRALDH1A1HTTTHRBTP53
SCHEMBL1568905 0.81 CA1 (0.55) POLBTSHRMAPK1CA1CA2
SCHEMBL7074262 0.80 HTR6 (0.40) POLBMMP1MMP8MMP13F2
SCHEMBL9457190 0.78 ALDH1A1 (0.36) TSHRCA2F2PRSS1PRSS2
SCHEMBL25987068 0.78 ALDH1A1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL8663014 0.78 CA2 (0.47) POLBTSHRCA1CA2L3MBTL1
SCHEMBL8951838 0.78 CA2 (0.48) CA1CA2GAACA5ACA12

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
US-4283196-A FIXING BY ACTION OF AN ALKALINE AGENT AMERICAN HOECHST CORPORATION (US) 1981-08-11 US disclosed