SCHEMBL3890234

SCHEMBL3890234

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.44
▸ PTPN1 P18031 5/20 0.43
▸ ACP1 P24666 4/20 0.43
▸ CA9 Q16790 2/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ PTGES O14684 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PTPN2 P17706 2/20 0.39

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
SCHEMBL3896011 0.91 FAAH (0.40) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3890240 0.89 FAAH (0.44) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3889545 0.89 PTGES (0.49) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL11996502 0.85 PTPN1 (0.43) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL11996503 0.85 PTPN1 (0.43) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3887230 0.85 PTPN1 (0.43) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3893584 0.82 PTGES (0.47) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3901177 0.82 PTGES (0.47) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3893586 0.82 PTGES (0.47) FAAHPTPN1ACP1CA9AKR1B1
SCHEMBL3901193 0.82 PTGES (0.47) FAAHPTPN1ACP1CA9AKR1B1

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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