SCHEMBL9341827

SCHEMBL9341827

CSCCC(NC(=O)O)C(O)C(O)C(CCSC)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
FOLH1 Q04609 2/20 0.36
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ANPEP P15144 1/20 0.33

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
SCHEMBL4326342 0.73 LMNA (0.57) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL1298472 0.73 LMNA (0.57) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL22906216 0.72 ALDH1A1 (0.42) RNPEPMETAP2METAP1ALDH1A1NPSR1
SCHEMBL5549045 0.72 RNPEP (0.44) RNPEPMETAP2METAP1ALDH1A1NPSR1
SCHEMBL14842156 0.72 RNPEP (0.44) RNPEPMETAP2METAP1ALDH1A1NPSR1
SCHEMBL28257478 0.72 LMNA (0.55) RNPEPALDH1A1NPSR1LMNAFOLH1
SCHEMBL6091973 0.72 ALDH1A1 (0.44) RNPEPALDH1A1NPSR1LMNAPOLB
SCHEMBL5848394 0.71 RNPEP (0.42) RNPEPMETAP2METAP1ALDH1A1NPSR1
SCHEMBL5544851 0.71 RNPEP (0.42) RNPEPMETAP2METAP1ALDH1A1NPSR1
SCHEMBL6275580 0.71 RNPEP (0.42) RNPEPMETAP2METAP1ALDH1A1NPSR1

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-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed