SCHEMBL5357701

SCHEMBL5357701

CCCCOC(=O)C(O)CC(=O)[O-].CCCCOC(=O)C(O)CC(=O)[O-].C[Sn+2]C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CA4 P22748 2/20 0.41
ATM Q13315 1/20 0.40
NAAA Q02083 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL5356676 0.89 ALDH1A1 (0.39) ALDH1A1CA4ATMNAAAHPGD
SCHEMBL29911382 0.86 NAAA (0.52) CA4NAAATSHRHCAR2
SCHEMBL27875072 0.86 NAAA (0.41) ALDH1A1NAAATSHR
SCHEMBL28482797 0.83 NAAA (0.45) NAAATSHRHCAR2
SCHEMBL5360765 0.82 CA4 (0.46) ALDH1A1CA4
SCHEMBL942674 0.78 ALDH1A1 (0.48) ALDH1A1ATMNAAAHPGDTSHR
SCHEMBL20446066 0.78 NAAA (0.53) ALDH1A1ATMNAAAHPGDTSHR
SCHEMBL12168734 0.78 ALDH1A1 (0.48) ALDH1A1ATMNAAAHPGDTSHR
SCHEMBL9183722 0.78 ALDH1A1 (0.54) ALDH1A1ATMNAAAHPGDTSHR
SCHEMBL743529 0.78 NAAA (0.53) ALDH1A1ATMNAAAHPGDTSHR

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-20070298178-A1 Two Packages Type Thermosetting Resin Composition, Film Forming Method and Coated Article TANABE HISAKI 2007-12-27 US disclosed