SCHEMBL3896011

SCHEMBL3896011

COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CN)C2=O)cc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ PTPN1 P18031 6/20 0.40
▸ ACP1 P24666 5/20 0.40
▸ CA9 Q16790 2/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ PTPN2 P17706 3/20 0.38
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ GAA P10253 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
SCHEMBL3890234 0.91 FAAH (0.44) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996460 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996461 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3896015 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3889545 0.86 PTGES (0.49) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3897108 0.84 PTGES (0.45) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3897116 0.84 PTGES (0.45) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3890606 0.84 PTGES (0.45) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3890600 0.84 PTGES (0.45) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3891185 0.83 MAPT (0.41) FAAHPTGESPTPN1ACP1CA9

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
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 — — WO disclosed
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