SCHEMBL11908112

SCHEMBL11908112

CCCCOCOC(=O)C1CC2C=CC1O2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL11908712 0.92 PPM1B (0.32) PPM1BPTPN1PPP1CC
SCHEMBL11909180 0.91
SCHEMBL10502396 0.89 ALDH1A1 (0.37) PPP5CPPM1BPTPN1PPP1CCCHRM2
SCHEMBL11909862 0.86
SCHEMBL10961187 0.84 NAAA (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10503552 0.84 NAAA (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11907282 0.83 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL11907583 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11907446 0.80
SCHEMBL11909142 0.80

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