SCHEMBL13941998

SCHEMBL13941998

CC(CC(C)(C)C)C(=O)OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
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
SCHEMBL25268181 0.82 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL24630770 0.81 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19827219 0.81 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL2055318 0.80 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MGLL
SCHEMBL18754364 0.80 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL8414890 0.79 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL14538140 0.79 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18754349 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13991477 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL16687820 0.77 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4TSHRMAPK1

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-7479327-B2 Coextruded olefins copolymers contains one monomer selecting from ethylenically copolymerizable amine-containing monomers, epoxy-containing monomers, an ester monomer; sporting equipment, automobiles, aerospace reentry shields; durability, protective coatings EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed
US-20070003712-A1 Tie-layer materials for use with ionomer-based films and sheets as skins on other materials EXXONMOBIL CHEMICAL PATENTS INC. 2007-01-04 US disclosed