SCHEMBL5157845

SCHEMBL5157845

CCCCOC(=O)/C(CC)=C(/CC)C(=O)OCCCC.[SnH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.48
NAAA Q02083 1/20 0.48
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
ESR1 P03372 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5157854 0.98 ALDH1A1 (0.56) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL10008834 0.98 ALDH1A1 (0.56) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL10008832 0.98 ALDH1A1 (0.56) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL5157550 0.91 NAAA (0.61) ALDH1A1TSHRNAAAHCAR2RAD52
SCHEMBL7772543 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL6905850 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL7772617 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL10010964 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL10009189 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD
SCHEMBL10010969 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRNAAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471113-B1 Curable composition KANEKA CORP (JP) 2007-08-15 EP disclosed
US-7176269-B2 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2007-02-13 US disclosed
EP-1304354-B1 CURABLE COMPOSITION AND USES THEREOF MITSUI CHEMICALS INC (JP) 2007-01-24 EP disclosed
US-20070015893-A1 Curable composition and its use MITSUI CHEMICALS, INC. 2007-01-18 US disclosed
US-7019074-B2 Curable composition KANEKA CORPORATION (JP) 2006-03-28 US disclosed
US-20040214950-A1 Curable composition KANEKA CORPORATION (JP) 2004-10-28 US disclosed
EP-1471113-A1 Curable composition Kaneka Corporation (JP) 2004-10-27 EP disclosed
US-20030096904-A1 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2003-05-22 US disclosed
EP-1304354-A1 CURABLE COMPOSITION AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2003-04-23 EP disclosed
EP-0627472-B1 Curable composition KANEGAFUCHI CHEMICAL IND (JP) 2000-03-08 EP disclosed
US-5399601-A Overcoatings KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
EP-0627472-A2 Curable composition KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-12-07 EP disclosed