SCHEMBL8340431

SCHEMBL8340431

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 6/20 0.39
▸ MMP1 P03956 6/20 0.39
▸ MMP13 P45452 5/20 0.39
▸ ADAM17 P78536 4/20 0.39
▸ POLB P06746 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MMP2 P08253 4/20 0.35
▸ MMP3 P08254 4/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HDAC3 O15379 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
SCHEMBL8337089 0.97 MMP9 (0.43) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8336849 0.96 MMP9 (0.44) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8338276 0.94 TAS1R3 (0.37) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8336514 0.91 PKM (0.37) MMP9MMP1MMP13ADAM17CYP1A2
SCHEMBL8338140 0.90 MMP9 (0.38) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8334100 0.88 POLB (0.41) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8339304 0.88 MMP9 (0.42) MMP9MMP1MMP13ADAM17FAAH
SCHEMBL8334670 0.87 MMP9 (0.41) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8334058 0.87 MMP9 (0.41) MMP9MMP1MMP13ADAM17FAAH
SCHEMBL8392500 0.86 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
Send feedback