SCHEMBL5574256

SCHEMBL5574256

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 3/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28106649 0.94 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL27868051 0.91 SMN1; SMN2 (0.46) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL204985 0.87 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLL
SCHEMBL27868048 0.85 SMN1; SMN2 (0.46) ALDH1A1TP53CYP3A4SMN1; SMN2TDP1
SCHEMBL8139668 0.84 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4MGLLTDP1
SCHEMBL27657798 0.83 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MGLL
SCHEMBL2231276 0.80 NAAA (0.42) ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL2404800 0.78 NAAA (0.41) ALDH1A1
Butane SCHEMBL441766 0.78 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4SMN1; SMN2MGLL
SCHEMBL22303945 0.77 MGAM (0.43) ALDH1A1CYP3A4TDP1

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
EP-1814950-A2 THERMOPLASTIC WEAR RESISTANT COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES CONTAINING THE SAME General Electric Company (US) 2007-08-08 EP disclosed
WO-2007013890-A2 THERMOPLASTIC WEAR RESISTANT COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES CONTAINING THE SAME GENERAL ELECTRIC COMPANY (US) 2007-02-01 WO disclosed