SCHEMBL11996392

SCHEMBL11996392

COc1cc(C=C2SC(=Nc3ccccc3)N(C(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C(C)C)C2=O)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ ACP1 P24666 7/20 0.46
▸ PTPN2 P17706 4/20 0.45
▸ AKR1B1 P15121 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PSMD14 O00487 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11996391 1.00 PTPN1 (0.46) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL3955366 1.00 PTPN1 (0.46) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996411 0.93 PTGES (0.47) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL3892767 0.93 PTGES (0.47) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996412 0.93 PTGES (0.47) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996414 0.86 PTGES (0.43) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996415 0.86 PTGES (0.43) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996416 0.86 PTGES (0.43) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996502 0.84 PTPN1 (0.43) PTPN1ACP1PTPN2AKR1B1PTGES
SCHEMBL11996503 0.84 PTPN1 (0.43) PTPN1ACP1PTPN2AKR1B1PTGES

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-8252940-B2 5-substituted-2-imino-thiazolidinone compounds and their use as inhibitors of bacterial infection UNIVERSITY OF WASHINGTON (US) 2012-08-28 — — US disclosed
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