SCHEMBL8339718

SCHEMBL8339718

CCCCCC(CCC(C(=O)NC(=O)NC1CC1)c1ccc(OC)cc1)N=S(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 4/20 0.40
▸ MMP13 P45452 4/20 0.40
▸ ADAM17 P78536 4/20 0.40
▸ MMP1 P03956 3/20 0.40
▸ EPHX2 P34913 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ YAP1 P46937 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
SCHEMBL8341075 0.92 NPC1 (0.39) MMP9MMP13ADAM17MMP1ALDH1A1
SCHEMBL8340696 0.88 RAB9A (0.46) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8337089 0.88 MMP9 (0.43) MMP9MMP13ADAM17MMP1POLB
SCHEMBL8336849 0.87 MMP9 (0.44) MMP9MMP13ADAM17MMP1POLB
SCHEMBL8339304 0.87 MMP9 (0.42) MMP9MMP13ADAM17MMP1ALDH1A1
SCHEMBL8334058 0.86 MMP9 (0.41) MMP9MMP13ADAM17MMP1ALDH1A1
SCHEMBL8340431 0.85 MMP9 (0.39) MMP9MMP13ADAM17MMP1POLB
SCHEMBL8334670 0.82 MMP9 (0.41) MMP9MMP13ADAM17MMP1POLB
SCHEMBL8336310 0.81 MMP9 (0.43) MMP9MMP13ADAM17MMP1POLB
SCHEMBL8332853 0.81 MMP9 (0.41) MMP9MMP13ADAM17MMP1CNR1

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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