SCHEMBL11907582

SCHEMBL11907582

CCOC(=O)COC(=O)C1CC2C=CC1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NLRP3 Q96P20 7/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 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
SCHEMBL4386205 0.90 PPM1B (0.38) ALDH1A1KMT2AGAAPPM1BPTPN1
SCHEMBL8102462 0.90 PPM1B (0.38) ALDH1A1KMT2AGAAPPM1BPTPN1
SCHEMBL5718171 0.90 PPM1B (0.38) ALDH1A1KMT2AGAAPPM1BPTPN1
SCHEMBL8836695 0.90 PPM1B (0.38) ALDH1A1KMT2AGAAPPM1BPTPN1
SCHEMBL11908518 0.89 PPM1B (0.37) NPC1RAB9AALDH1A1L3MBTL1PPM1B
SCHEMBL11907921 0.87 ALDH1A1 (0.33) RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL11907583 0.87 ALDH1A1 (0.34) ALDH1A1L3MBTL1EPHX2
SCHEMBL11909299 0.85 TSHR (0.35) L3MBTL1
SCHEMBL11909759 0.83
SCHEMBL11907987 0.83 MAPT (0.31)

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