SCHEMBL7280734

SCHEMBL7280734

CC(C)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.45
LTA4H P09960 1/20 0.41
CTSK P43235 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CPB2 Q96IY4 1/20 0.38

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
SCHEMBL9226154 1.00 REN (0.45) RENLTA4HCTSKPSEN1PSEN2
SCHEMBL9226159 1.00 REN (0.45) RENLTA4HCTSKPSEN1PSEN2
SCHEMBL1862727 0.85 LTA4H (0.43) RENLTA4HCTSKPSEN1PSEN2
SCHEMBL7323220 0.85 REN (0.41) RENLTA4HCTSK
SCHEMBL7323217 0.85 REN (0.41) RENLTA4HCTSK
SCHEMBL970651 0.82 REN (0.40) RENLTA4HCTSKCPB2
SCHEMBL969489 0.82 REN (0.40) RENCTSKCPB2
SCHEMBL972386 0.82 REN (0.40) RENLTA4HCTSKCPB2
SCHEMBL7292991 0.81 REN (0.43) RENLTA4HPSEN1PSEN2APH1B
SCHEMBL9800476 0.81 REN (0.45) REN

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-0332008-A2 Peptide-like aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed