SCHEMBL8339304

SCHEMBL8339304

CCCCCC(CCC(C(=O)NC(=O)NCC)c1ccc(OC)cc1)N=S(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.42
▸ MMP13 P45452 5/20 0.42
▸ ADAM17 P78536 4/20 0.42
▸ MMP1 P03956 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL8337089 0.91 MMP9 (0.43) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8332853 0.90 MMP9 (0.41) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8336849 0.90 MMP9 (0.44) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8334058 0.89 MMP9 (0.41) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8340431 0.88 MMP9 (0.39) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8339718 0.87 MMP9 (0.40) MMP9MMP13ADAM17MMP1SMN1; SMN2
SCHEMBL8334670 0.85 MMP9 (0.41) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8336310 0.85 MMP9 (0.43) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8392500 0.85 MMP9 (0.43) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8340743 0.84 MMP9 (0.40) MMP9MMP13ADAM17MMP1HDAC1

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
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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