SCHEMBL10000217

SCHEMBL10000217

CC(O)C(=O)OC(C)C(=O)OCCCCOC(=O)C(C)OC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
TP53 P04637 1/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL16943384 0.98 NAAA (0.36) NAAAALDH1A1EPHX1TSHRCYP3A4
SCHEMBL14702361 0.98 NAAA (0.36) NAAAALDH1A1EPHX1TSHRCYP3A4
SCHEMBL16203062 0.96 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ATP53
SCHEMBL16843063 0.94 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL7692363 0.92 NAAA (0.46) NAAAALDH1A1EPHX1TSHRCYP3A4
SCHEMBL821336 0.91 TP53 (0.33) MEN1KMT2ATP53
SCHEMBL16203063 0.91 NAAA (0.48) NAAAALDH1A1EPHX1TSHRACHE
SCHEMBL13843610 0.91 NAAA (0.44) NAAAALDH1A1EPHX1TSHRCYP3A4
SCHEMBL13843611 0.91 NAAA (0.44) NAAAALDH1A1EPHX1TSHRCYP3A4
SCHEMBL28247460 0.91 NAAA (0.48) NAAAALDH1A1EPHX1TSHRACHE

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-8975331-B2 Biodegradable and biocompatible waterborne polyurethane GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2015-03-10 US disclosed
US-20120108742-A1 Biodegradable and biocompatible waterborne polyurethane NATIONAL CHUNG HSING UNIVERSITY 2012-05-03 US disclosed