SCHEMBL19419086

SCHEMBL19419086

CCCCCCOC1C2OC3(C)OC(C2C)C(C)C1O3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.44
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
GSTA2 P09210 2/20 0.33
GSTP1 P09211 2/20 0.33
GSTM1 P09488 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 6/20 0.31
CA2 P00918 6/20 0.31
CA9 Q16790 6/20 0.31
CA12 O43570 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 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
SCHEMBL19419144 0.82 GBA1 (0.56) GBA1MAPK1GSTA2GSTP1GSTM1
SCHEMBL25627225 0.69 GBA1 (0.43) GBA1GSTA2GSTP1GSTM1ALDH1A1
SCHEMBL19419081 0.68 PDPK1 (0.40) TSHRGSTP1ALDH1A1
SCHEMBL14094695 0.67 GSTP1 (0.42) GBA1GSTA2GSTP1GSTM1ALDH1A1
SCHEMBL5013985 0.67 GSTP1 (0.42) GBA1GSTA2GSTP1GSTM1ALDH1A1
SCHEMBL25627233 0.67 GBA1 (0.48) GBA1RECQLGLAHPGDTSHR
SCHEMBL14000855 0.66 LMNA (0.40) GBA1ALDH1A1
SCHEMBL6526191 0.65 GBA1 (0.56) GBA1RECQLGLAHPGDTSHR
SCHEMBL6523135 0.65 GBA1 (0.56) GBA1RECQLGLAHPGDTSHR
SCHEMBL6525923 0.65 GBA1 (0.56) GBA1RECQLGLAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283550-A1 POLYCARBONATE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed