Sugi Predict

Sugi Predict / Compounds / SCHEMBL4889325

SCHEMBL4889325

SCHEMBL4889325

CCCCC(CC)C(O)C(C)(O)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ FDPS P14324 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ TSHR P16473 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
SCHEMBL20779367 0.76 CA2 (0.36) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL21536755 0.75 ALDH1A1 (0.37) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL9959896 0.75 GPR84 (0.38) CA2LMNATSHR
SCHEMBL7128227 0.75 ALDH1A1 (0.37) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL4889352 0.73 CA2 (0.38) CA2MAPK1CA1ALDH1A1LMNA
Hydroxyl Radical SCHEMBL8682810 0.73 TSHR (0.39) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL8520979 0.72 LMNA (0.34) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL12209116 0.71 ALDH1A1 (0.44) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL423728 0.71 ALDH1A1 (0.44) CA2MAPK1CA1ALDH1A1LMNA
SCHEMBL11832228 0.71 ALDH1A1 (0.44) CA2MAPK1CA1ALDH1A1LMNA

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 — — US claimed