SCHEMBL7656832

SCHEMBL7656832

O=C(OCC1CO1)[C@H]1CC[C@H](C(=O)OCC2CO2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
MGLL Q99685 3/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7860984 1.00 TP53 (0.66) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL285188 1.00 TP53 (0.66) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL9347713 1.00 TP53 (0.66) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL7767120 0.92 TP53 (0.58) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL7860986 0.92 TP53 (0.58) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL1277836 0.92 TP53 (0.61) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL6358857 0.92 TP53 (0.72) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL29124321 0.91 TP53 (0.56) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL28143780 0.91 TP53 (0.56) TP53CYP3A4ALDH1A1TSHRLMNA
SCHEMBL504165 0.90 TP53 (0.70) TP53CYP3A4ALDH1A1TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196508-A1 CURABLE COMPOSITION Vantico AG (CH) 2002-04-17 EP disclosed
WO-2001005901-A1 CURABLE COMPOSITION VANTICO AG (CH) 2001-01-25 WO disclosed
EP-0770605-B1 Powder paint VANTICO AG (CH) 2001-01-10 EP disclosed