SCHEMBL8337089

SCHEMBL8337089

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 7/20 0.43
▸ MMP1 P03956 6/20 0.43
▸ MMP13 P45452 5/20 0.43
▸ ADAM17 P78536 4/20 0.43
▸ POLB P06746 1/20 0.37
▸ MMP2 P08253 3/20 0.36
▸ MMP3 P08254 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 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
SCHEMBL8336849 0.99 MMP9 (0.44) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8340431 0.97 MMP9 (0.39) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8338276 0.93 TAS1R3 (0.37) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8334100 0.91 POLB (0.41) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8339304 0.91 MMP9 (0.42) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL8334058 0.90 MMP9 (0.41) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL8334670 0.90 MMP9 (0.41) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8336514 0.90 PKM (0.37) MMP9MMP1MMP13ADAM17HDAC1
SCHEMBL8392500 0.89 MMP9 (0.43) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8336310 0.89 MMP9 (0.43) MMP9MMP1MMP13ADAM17POLB

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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