SCHEMBL2160337

SCHEMBL2160337

CCC(O)C(=O)OCCCOC(=O)C(O)CC

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8469192 0.91 ALDH1A1 (0.54) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL1455524 0.91 ALDH1A1 (0.54) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL13256196 0.91 ALDH1A1 (0.54) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL15623776 0.90 TSHR (0.41) NAAAALDH1A1TSHR
SCHEMBL4839922 0.89 NAAA (0.57) NAAAALDH1A1TSHR
SCHEMBL8379690 0.87 NAAA (0.61) NAAATSHR
SCHEMBL5690813 0.87 NAAA (0.61) NAAATSHR
Undecane SCHEMBL28371743 0.87 NAAA (0.55) NAAAALDH1A1ATMTSHR
SCHEMBL8379630 0.87 NAAA (0.61) NAAATSHR
SCHEMBL8375578 0.87 NAAA (0.61) NAAATSHR

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-20110180010-A1 CRYSTAL FORMS OF ASTAXANTHIN DSM IP ASSETS B.V. (NL) 2011-07-28 US disclosed