SCHEMBL8355295

SCHEMBL8355295

CCC(C)CC(N)C(O)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
LTA4H P09960 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
METAP2 P50579 8/20 0.35
METAP1 P53582 6/20 0.35
PEPD P12955 3/20 0.34
XPNPEP1 Q9NQW7 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
SCHEMBL737851 0.82 ANPEP (0.53) ANPEPDNPEPLTA4HMETAP2METAP1
SCHEMBL23496356 0.82 LTA4H (0.42) LTA4HCA1CA2METAP2METAP1
Hydrochloric Acid SCHEMBL737850 0.81 ANPEP (0.51) ANPEPDNPEPLTA4HMETAP2METAP1
Hydrochloric Acid SCHEMBL23496385 0.80 LTA4H (0.41) LTA4HCA1CA2METAP2METAP1
SCHEMBL27827520 0.79 CA1 (0.38) CA1CA2MAPTSMN1; SMN2BIRC2
SCHEMBL23787539 0.79 CA1 (0.38) CA1CA2MAPTSMN1; SMN2BIRC2
SCHEMBL27620506 0.79 CA1 (0.38) CA1CA2MAPTSMN1; SMN2BIRC2
Hydrochloric Acid SCHEMBL30222538 0.77 CA1 (0.37) CA1CA2MAPTSMN1; SMN2BIRC2
Hydrochloric Acid SCHEMBL27799051 0.77 CA1 (0.37) CA1CA2MAPTSMN1; SMN2BIRC2
Hydrochloric Acid SCHEMBL3895369 0.76 LTA4H (0.38) ANPEPDNPEPLTA4HPEPDXPNPEP1

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-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed