SCHEMBL8014662

SCHEMBL8014662

CCO/C(CCCS(=O)(=O)O)=C(/C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8014663 1.00 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10THRBFNTA
SCHEMBL2721925 0.80 FNTA (0.46) ALDH1A1LMNAHSD17B10THRBFNTA
SCHEMBL5164512 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10THRBFNTA
SCHEMBL5616300 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10THRBFNTA
SCHEMBL3388403 0.77 FNTA (0.56) ALDH1A1HSD17B10THRBFNTAFNTB
SCHEMBL14900199 0.74 CYP1A2 (0.55) ALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL3451347 0.74 APP (0.38) LMNATHRBFNTAFNTBPGGT1B
SCHEMBL5014807 0.73 CYP1A2 (0.53) ALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL126032 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10THRBFNTA
SCHEMBL222774 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10THRBFNTA

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-0896600-B1 NON-THROMBOGENIC AND ANTI-THROMBOGENIC POLYMERS LUTHRA AJAY KUMAR (GB) 2000-01-12 EP claimed