Sugi Predict

Sugi Predict / Compounds / SCHEMBL11280684

SCHEMBL11280684

SCHEMBL11280684

CCCCC(C)C(C)(O)CS

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 4/20 0.33
▸ FDPS P14324 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DNM1 Q05193 2/20 0.31
▸ CTSK P43235 1/20 0.30
▸ OPRM1 P35372 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
SCHEMBL5465251 0.82 CA2 (0.37) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL11662652 0.78 CA2 (0.34) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL28130437 0.77 FDPS (0.40) CA2FDPSDNM1
SCHEMBL6947597 0.77 FDPS (0.40) CA2FDPSDNM1
SCHEMBL62008 0.77 CA2 (0.39) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL568424 0.77 CA2 (0.39) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL11219736 0.75 CA2 (0.36) CA2MAPK1CA1ALDH1A1CTSK
SCHEMBL27943155 0.75 CA2 (0.38) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL78073 0.74 SPHK1 (0.42) CA2CA1FDPSOPRM1
SCHEMBL28056385 0.74 OPRM1 (0.39) CA1FDPSOPRM1

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-4309441-A HYPOTENSIVE AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-01-05 — — US disclosed