SCHEMBL9016459

SCHEMBL9016459

CCCCCCCCCCCC(N=C=O)N=C=O.O=C=NCCCCCCSCCCCCCN=C=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
CES2 O00748 3/20 0.33
MAPT P10636 2/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.33
FDPS P14324 3/20 0.31
FAAH O00519 4/20 0.30
CES1 P23141 4/20 0.30
PLA2G6 O60733 1/20 0.30
TRPA1 O75762 3/20 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
SCHEMBL1983294 0.91 NAAA (0.42) NAAAMAPTCA2FDPS
SCHEMBL11725725 0.86 NAAA (0.47) NAAACES2MAPTGMNNTP53
SCHEMBL11727791 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11733941 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11731470 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11726470 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11723919 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11727435 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL11748774 0.82 CES2 (0.42) NAAACES2MAPTGMNNTP53
SCHEMBL25210136 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461800-B1 Improved polymer/polyol and preformed stabilizer systems ARCO CHEM TECH (US) 1996-12-27 EP disclosed
US-4902723-A ALSO WITH HEXAMETHYLENETETRAMINE IN CATALYST MIXTURE UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-02-20 US disclosed
EP-0131209-A2 Connected block branched polypropylene glycols UNION CARBIDE CORPORATION (US) 1985-01-16 EP disclosed