SCHEMBL7728171

SCHEMBL7728171

CC1CCC(C)(C(=O)OCC2CO2)C(C(=O)OCC2CO2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27452541 0.90 ALDH1A1 (0.37) TP53CYP3A4ALDH1A1
SCHEMBL7728256 0.81 TP53 (0.53) TP53CYP3A4ALDH1A1
SCHEMBL30575200 0.73 TP53 (0.45) TP53CYP3A4ALDH1A1
SCHEMBL7077319 0.73 TP53 (0.42) TP53CYP3A4ALDH1A1
SCHEMBL285315 0.72 TP53 (0.69) TP53CYP3A4ALDH1A1
SCHEMBL27564921 0.72 TP53 (0.58) TP53CYP3A4ALDH1A1
SCHEMBL27383021 0.70 TP53 (0.53) TP53CYP3A4ALDH1A1
SCHEMBL7723055 0.70 TP53 (0.55) TP53CYP3A4ALDH1A1
SCHEMBL27463169 0.69 ALDH1A1 (0.40) TP53CYP3A4ALDH1A1
SCHEMBL536513 0.68 TP53 (0.43) TP53CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433084-B1 POLYESTER-FREE AUTOMOTIVE LACQUER COMPRISED OF A POLY(METH)ACRYLIC RESIN AND HARDENED WITH A POLYGLYCIDYL POLYCARBOXYLATE; LOW FLOW TEMPERATURE; GOOD WEATHERFASTNESS VANTICO INC. 2002-08-13 US disclosed
US-6265487-B1 Powder coating of carboxyl-containing poly(meth)acrylic resin and trans(cis)-diglycidyl 1,4-cyclohexanedicarboxylate VANTICO, INC. 2001-07-24 US disclosed