SCHEMBL18177786

SCHEMBL18177786

CC1C(C)C2CC1C1CC(C(=O)OCC3CO3)C(C(=O)OCC3CO3)C21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL18177790 0.83 TP53 (0.54) TP53CYP3A4ALDH1A1LMNA
SCHEMBL18177793 0.82 TP53 (0.50) TP53CYP3A4ALDH1A1LMNA
SCHEMBL18177791 0.77 TP53 (0.45) TP53CYP3A4ALDH1A1LMNA
SCHEMBL12270888 0.77 TP53 (0.57) TP53CYP3A4ALDH1A1
SCHEMBL18177781 0.77 TP53 (0.47) TP53CYP3A4ALDH1A1LMNA
SCHEMBL18177804 0.76 TP53 (0.47) TP53CYP3A4ALDH1A1LMNA
SCHEMBL18177788 0.75 TP53 (0.43) TP53CYP3A4ALDH1A1LMNA
SCHEMBL1643280 0.74 TP53 (0.53) TP53CYP3A4ALDH1A1LMNA
SCHEMBL1644087 0.74 TP53 (0.57) TP53CYP3A4ALDH1A1LMNA
SCHEMBL7726456 0.74 TP53 (0.70) TP53CYP3A4ALDH1A1LMNA

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-20160311970-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS CLAVERIE, Jérôme (CA) 2016-10-27 US disclosed