SCHEMBL3889545

SCHEMBL3889545

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.49
▸ FAAH O00519 1/20 0.47
▸ PTPN1 P18031 5/20 0.45
▸ ACP1 P24666 4/20 0.45
▸ CA9 Q16790 2/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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 0.89 FAAH (0.44) PTGESFAAHPTPN1ACP1CA9
SCHEMBL11996448 0.87 PTGES (0.49) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3889548 0.87 PTGES (0.49) PTGESFAAHPTPN1ACP1CA9
SCHEMBL11996446 0.87 PTGES (0.49) PTGESFAAHPTPN1ACP1CA9
SCHEMBL11996447 0.87 PTGES (0.49) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3896011 0.86 FAAH (0.40) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3893584 0.85 PTGES (0.47) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3893586 0.85 PTGES (0.47) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3901177 0.85 PTGES (0.47) PTGESFAAHPTPN1ACP1CA9
SCHEMBL3901193 0.85 PTGES (0.47) PTGESFAAHPTPN1ACP1CA9

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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