SCHEMBL18177793

SCHEMBL18177793

CC1C(C)C2CC1C(C(=O)OCC1CO1)C2C(=O)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.38
MGLL Q99685 2/20 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
SCHEMBL18177791 0.94 TP53 (0.45) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18177804 0.92 TP53 (0.47) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18177788 0.88 TP53 (0.43) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18177781 0.83 TP53 (0.47) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL16808806 0.83 TP53 (0.50) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18181919 0.83 TP53 (0.50) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18177786 0.82 TP53 (0.48) TP53CYP3A4ALDH1A1LMNA
SCHEMBL16808773 0.80 TP53 (0.44) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1644082 0.79 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18177790 0.79 TP53 (0.54) TP53CYP3A4ALDH1A1LMNAMGLL

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