Sugi Predict

Sugi Predict / Compounds / SCHEMBL15868639

SCHEMBL15868639

SCHEMBL15868639

CCC(C)(CC(C)(C)C(=O)OCC1CO1)C(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL12084391 0.91 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4
SCHEMBL13120127 0.91 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4
SCHEMBL17931695 0.91 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18904526 0.87 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18904536 0.86 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13938641 0.85 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18904538 0.84 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18068892 0.84 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL15868636 0.83 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19602222 0.83 ALDH1A1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194557-A1 NEW POLYMER, SURFACE HYDROPHILIZING AGENT CONTAINING SAID POLYMER, AND MANUFACTURING METHOD FOR SUBSTRATE HAVING HYDROPHILIC SURFACE JSR CORPORATION (JP) 2014-07-10 — — US disclosed