SCHEMBL7081469

SCHEMBL7081469

C=CCCC(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.50
FNTB P49356 5/20 0.50
PGGT1B P53609 1/20 0.49
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.44
HDAC2 Q92769 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 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
SCHEMBL7081466 1.00 FNTA (0.50) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL6562048 0.89 FNTA (0.56) FNTAFNTBPGGT1BLMNAHDAC2
SCHEMBL16288853 0.84 NOD1 (0.46) FNTAFNTBPGGT1BHDAC2
SCHEMBL15083196 0.84 NOD1 (0.46) FNTAFNTBPGGT1BHDAC2
SCHEMBL8953498 0.82 HDAC2 (0.51) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL8953501 0.82 HDAC2 (0.51) FNTAFNTBPGGT1BLMNAMAPK1
SCHEMBL23056622 0.82 NOD1 (0.40) FNTAFNTBPGGT1BHDAC2ALDH1A1
SCHEMBL15083125 0.82 EPHX2 (0.39) FNTAFNTBPGGT1BHDAC2ALDH1A1
SCHEMBL15083075 0.82 NOD1 (0.40) FNTAFNTBPGGT1BHDAC2ALDH1A1
SCHEMBL16288601 0.82 EPHX2 (0.39) FNTAFNTBPGGT1BHDAC2ALDH1A1

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-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed