SCHEMBL2164384

SCHEMBL2164384

CC(C)c1cccc(C(=O)O)c1O.O=C(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
CYP3A4 P08684 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
GABRG2 P18507 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46

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
SCHEMBL31011017 0.86 HPGD (0.61) HPGDCYP3A4GABRA1GABRB1FAAH
SCHEMBL39140 0.86 HPGD (0.61) HPGDCYP3A4GABRA1GABRB1FAAH
Bicarbonate SCHEMBL236924 0.84 GABRA1 (0.59) HPGDCYP3A4GABRA1GABRB1FAAH
Hydroxytoluic Acid SCHEMBL2165654 0.80 HPGD (0.71) HPGDCYP3A4LMNACYP1A2TSHR
SCHEMBL2165949 0.79 GABRA1 (0.50) HPGDCYP3A4GABRA1LMNAGABRB2
SCHEMBL2165468 0.78 HMGB1 (0.50) HPGDCYP3A4GABRA1LMNATSHR
SCHEMBL2164486 0.77 CA2 (0.46) HPGDCYP3A4GABRA1CA2TSHR
SCHEMBL4342982 0.76 GABRA1 (0.42) HPGDCYP3A4GABRA1GABRB1FAAH
SCHEMBL7091400 0.76 HPGD (0.59) HPGDCYP3A4LMNACYP1A2TSHR
Hydrogen Peroxide SCHEMBL9514730 0.75 ALDH1A1 (0.59) HPGDCYP3A4GABRA1GABRB1FAAH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394912-B2 Process and apparatus for the preparation of polycarbonate BAYER MATERIALSCIENCE AG (DE) 2013-03-12 US disclosed
US-20110193337-A1 FORGERY-PROOF SECURITY FEATURES IN SECURITY OR VALUE DOCUMENTS BAYER MATERIAL SCIENCE AG (DE) 2011-08-11 US disclosed
US-20110184144-A1 PROCESS AND APPARATUS FOR THE PREPARATION OF POLYCARBONATE BAYER MATERIALSCIENCE AG (DE) 2011-07-28 US disclosed
US-7250483-B2 Inhibition of catalytically active impurities in polycarbonate by the melt transesterification process BAYER MATERIALSCIENCE AG (DE) 2007-07-31 US disclosed
US-20060004178-A1 Inhibition of catalytically active impurities in polycarbonate by the melt transesterification process COVESTRO DEUTSCHLAND AG (DE) 2006-01-05 US disclosed