SCHEMBL11907282

SCHEMBL11907282

CCCOC(=O)C1CC2C=CC1O2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL10502396 0.91 ALDH1A1 (0.37) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL11908518 0.90 PPM1B (0.37) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL10503552 0.88 NAAA (0.39) ALDH1A1LMNA
SCHEMBL10961187 0.88 NAAA (0.39) ALDH1A1LMNA
SCHEMBL11908712 0.88 PPM1B (0.32) PPM1BPTPN1PPP1CC
SCHEMBL5718171 0.87 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL8102462 0.87 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL8836695 0.87 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL4386205 0.87 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL1088948 0.86

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