SCHEMBL3890240

SCHEMBL3890240

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ PTPN1 P18031 5/20 0.43
▸ ACP1 P24666 4/20 0.43
▸ CA9 Q16790 2/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN2 P17706 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PLA2G1B P04054 1/20 0.40

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
SCHEMBL3896015 0.91 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996461 0.91 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996460 0.91 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996402 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996401 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996400 0.90 PTGES (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3890234 0.89 FAAH (0.44) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996503 0.88 PTPN1 (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL11996502 0.88 PTPN1 (0.43) FAAHPTGESPTPN1ACP1CA9
SCHEMBL3887230 0.88 PTPN1 (0.43) 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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