SCHEMBL8940604

SCHEMBL8940604

C=CCC(CC)(C(=O)O)C(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL7600439 0.72 GRIK1 (0.33) ALDH1A1TSHR
SCHEMBL7600436 0.69 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL1716936 0.69 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL11064383 0.68 TSHR (0.36) ALDH1A1TSHR
SCHEMBL7784553 0.68 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL29901369 0.67 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL3785772 0.67 MAPT (0.34) ALDH1A1TSHR
SCHEMBL7438667 0.67 MAPT (0.36) ALDH1A1
SCHEMBL9655584 0.66 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL11131461 0.65 ALDH1A1 (0.39) ALDH1A1TSHR

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
US-5576426-A Aldolase catalyzed stereoselective synthesis of arabinohexulose, xyloheptulose, threohexulose and xylohexulose G. D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5143831-A Fructose 1,6-diphosphate aldolase catalyzed steroselective synthesis of sugars G. D. SEARLE & CO. (US) 1992-09-01 US disclosed