SCHEMBL3128229

SCHEMBL3128229

CCC(=O)Oc1c(N)cccc1NC(=O)C(N)CS

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 1/20 0.38
LNPEP Q9UIQ6 3/20 0.37
ERAP2 Q6P179 2/20 0.37
CASR P41180 1/20 0.37
HDAC2 Q92769 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL28820764 0.80 HSD17B10 (0.43) HDAC2
SCHEMBL7391494 0.78 ACHE (0.38) HDAC2KMT2A
SCHEMBL29019451 0.75 RXFP1 (0.41) HDAC2KMT2A
SCHEMBL22973013 0.75 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL22973012 0.75 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL5285423 0.75 ACHE (0.49) KMT2A
SCHEMBL7387661 0.74 ACHE (0.43) KMT2A
SCHEMBL181377 0.74 KMT2A (0.44) HDAC2KMT2A
Hydrochloric Acid SCHEMBL28097875 0.73 KMT2A (0.44) HDAC2KMT2A
SCHEMBL28820781 0.70 MAPK1 (0.50) HDAC2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151491-A9 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 WO disclosed
WO-2009151491-A2 IN VIVO INCORPORATION OF AN UNNATURAL AMINO ACID COMPRISING A 1,2-AMINOTHIOL GROUP THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 WO disclosed