SCHEMBL11221953

SCHEMBL11221953

CCCSC(C)=NOC(=O)N(C)SN(C)C(=O)OCc1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 3/20 0.38
CYP1A2 P05177 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CTBP2 P56545 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL11024148 0.78 MMP1 (0.49) MMP1MMP2MMP9MMP12NPC1
SCHEMBL10483118 0.76 ALDH1A1 (0.34) MMP1MMP2MMP9MMP12NPC1
SCHEMBL10483191 0.75 HCAR2 (0.43) MMP1MMP2MMP9MMP12MAOB
SCHEMBL13979923 0.72 MMP1 (0.58) MMP1MMP2MMP9MMP12NPC1
SCHEMBL10483236 0.72 ALDH1A1 (0.45) RAB9A
SCHEMBL3147684 0.68 MMP1 (0.59) MMP1MMP2MMP9MMP12NPC1
SCHEMBL6139463 0.67 IDO1 (0.62) MMP1MMP2MMP9MMP12NPC1
SCHEMBL28556983 0.67 MMP1 (0.61) MMP1MMP2MMP9MMP12NPC1
SCHEMBL31326237 0.67 MMP1 (0.61) MMP1MMP2MMP9MMP12NPC1
SCHEMBL10175035 0.67 MMP1 (0.54) MMP1MMP2MMP9MMP12NPC1

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-4341795-A PESTICIDES; INSECTICIDES; MITICIDES UNION CARBIDE CORPORATION (US) 1982-07-27 US disclosed