SCHEMBL9536226

SCHEMBL9536226

CCCCC(OCC)C([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.38
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.38
FDPS P14324 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ZDHHC7 Q9NXF8 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
SCHEMBL26940436 0.81 CA2 (0.48) CA2CA1MAPK1TDP1PTGES
SCHEMBL448884 0.81 CA2 (0.48) CA2CA1MAPK1TDP1PTGES
SCHEMBL5163491 0.81 CA2 (0.39) CA2CA1MAPK1FDPSTSHR
SCHEMBL6517069 0.79 CA2 (0.47) CA2CA1MAPK1TDP1PTGES
SCHEMBL5200419 0.79 CA2 (0.42) CA2CA1MAPK1TSHRCYP3A4
SCHEMBL28846728 0.79 CA2 (0.38) CA2CA1MAPK1FDPSTSHR
SCHEMBL6522497 0.79 CA2 (0.47) CA2CA1MAPK1TDP1PTGES
SCHEMBL6521204 0.79 CA2 (0.47) CA2CA1MAPK1TDP1PTGES
SCHEMBL10728407 0.79 CA2 (0.47) CA2CA1MAPK1TDP1PTGES
SCHEMBL6521659 0.79 CA2 (0.47) CA2CA1MAPK1TDP1PTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed