SCHEMBL28057321

SCHEMBL28057321

CC(=O)OCOC(C)C(OC(C)=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 1/20 0.31
GLA P06280 1/20 0.31
PGR P06401 1/20 0.30
HTR1A P08908 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
SCHEMBL9828007 0.89 TSHR (0.40) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL2562191 0.80 TSHR (0.38) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL10422950 0.78 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL8706061 0.78 ALDH1A1 (0.53) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL2254844 0.75
SCHEMBL14125984 0.74 TSHR (0.55) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL7785077 0.73
SCHEMBL7785079 0.73
SCHEMBL16473913 0.71 TDP1 (0.56) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL14478574 0.71 TDP1 (0.56) TSHRTDP1CHRM2CHRM4CHRM1

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
CN-103467469-B A kind of separation method of triacetyl ganciclovir isomer ZHEJIANG CHARIOTEER PHARMACEUTICAL CO., LTD. (CN) 2016-03-30 CN disclosed