SCHEMBL11907583

SCHEMBL11907583

CCCCOC(=O)COC(=O)C1CC2C=CC1O2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAAA Q02083 1/20 0.33
MIF P14174 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 2/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL11908518 0.92 PPM1B (0.37) ALDH1A1L3MBTL1MIFHPGD
SCHEMBL10502396 0.91 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1KDM4EATM
SCHEMBL11907582 0.87 NPC1 (0.34) ALDH1A1L3MBTL1EPHX2
SCHEMBL10503552 0.85 NAAA (0.39) ALDH1A1NAAAFAAH
SCHEMBL10961187 0.85 NAAA (0.39) ALDH1A1NAAAFAAH
SCHEMBL11908112 0.83 RAB9A (0.31) ALDH1A1
SCHEMBL11907921 0.82 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL11907282 0.82 PPM1B (0.41) ALDH1A1HPGD
SCHEMBL11907987 0.79 MAPT (0.31)
SCHEMBL11908490 0.79

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-8450440-B2 Method for purifying polymer and polymer MITSUI CHEMICALS, INC. (JP) 2013-05-28 US disclosed
US-20120208976-A1 METHOD FOR PURIFYING POLYMER AND POLYMER MITSUI CHEMICALS, INC (JP) 2012-08-16 US disclosed