SCHEMBL18901740

SCHEMBL18901740

CN[C@@H](SCCC(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.34
BLM P54132 1/20 0.34
FOLH1 Q04609 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CA1 P00915 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACHE P22303 1/20 0.31
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GABRR1 P24046 2/20 0.30
CYP1A2 P05177 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL3391444 0.79 TDP1 (0.34)
SCHEMBL3394612 0.74
SCHEMBL1405524 0.72 TP53 (0.38) RNPEPBLMSLC1A3SLC1A2SLC1A1
SCHEMBL26501489 0.69 CTSL (0.33) CTSLCTSB
SCHEMBL3391868 0.68
SCHEMBL3387159 0.67 TP53 (0.35) RNPEP
SCHEMBL9818235 0.67 BHMT (0.38) BLMCTSLCTSBCA1ACHE
SCHEMBL5729590 0.66
SCHEMBL882883 0.66 ALDH1A1 (0.43) BLMFOLH1SLC1A3SLC1A2SLC1A1
SCHEMBL21635774 0.66 ALDH1A1 (0.43) BLMFOLH1SLC1A3SLC1A2SLC1A1

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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed