SCHEMBL6325169

SCHEMBL6325169

CCCOC(=O)C1C=CC=CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 3/20 0.34
CHRM1 P11229 2/20 0.33
ESR1 P03372 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL28405608 0.92 PPM1B (0.40) PPM1BPTPN1PPP1CCLMNAHCAR2
SCHEMBL28923489 0.92 PPM1B (0.40) PPM1BPTPN1PPP1CCLMNAHCAR2
SCHEMBL6325196 0.92 PPM1B (0.40) PPM1BPTPN1PPP1CCLMNAHCAR2
SCHEMBL6319158 0.89 ALDH1A1 (0.42) LMNAHCAR2ALDH1A1PPARGESR1
SCHEMBL6324046 0.85 PPM1B (0.40) PPM1BPTPN1PPP1CCLMNAALDH1A1
SCHEMBL6317912 0.81 ALDH1A1 (0.48) LMNAHCAR2ALDH1A1PPARGESR1
SCHEMBL28923617 0.81 ALDH1A1 (0.48) LMNAHCAR2ALDH1A1PPARGESR1
SCHEMBL28412716 0.81 ALDH1A1 (0.48) LMNAHCAR2ALDH1A1PPARGESR1
SCHEMBL24951221 0.78 NAAA (0.50) LMNAHCAR2ALDH1A1NPSR1PPARG
SCHEMBL21982300 0.78 NAAA (0.50) LMNAHCAR2ALDH1A1NPSR1PPARG

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-6921830-B2 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040127726-A1 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed