SCHEMBL13623017

SCHEMBL13623017

CC(=O)OCC(O)[C@@H](OC(C)=O)[C@@H](C)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 3/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL13622762 0.86 TDP1 (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL15445146 0.86 TDP1 (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL13018490 0.86 TDP1 (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL17777233 0.86 TDP1 (0.48) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL12651814 0.81 TDP1 (0.55) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL13625312 0.81 TDP1 (0.75) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL22559753 0.81 TDP1 (0.53) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL16313041 0.81 TDP1 (0.53) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL9096939 0.80 TDP1 (0.62) TDP1TSHRCHRM2CHRM4CHRM1
SCHEMBL7153751 0.79 TDP1 (0.79) TDP1TSHRCHRM2CHRM4CHRM1

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
WO-2009133401-A1 SYNTHESIS OF TIMOSAPONIN BII PHYTOPHARM PLC (GB) 2009-11-05 WO disclosed
WO-2009132478-A1 SYNTHESIS OF TIMOSAPONIN BII PHYTOPHARM PLC (GB) 2009-11-05 WO disclosed