SCHEMBL14342159

SCHEMBL14342159

CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.51
NR3C1 P04150 1/20 0.51
FYN P06241 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CA2 P00918 10/20 0.50
CA12 O43570 9/20 0.50
CA1 P00915 9/20 0.50
CA9 Q16790 5/20 0.50
PKM P14618 1/20 0.49
OGA O60502 1/20 0.47
PTPN1 P18031 1/20 0.46
CA4 P22748 5/20 0.45
CA5A P35218 5/20 0.45

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
SCHEMBL1921435 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL5489564 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL9614389 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL9614375 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL1357029 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL3794903 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL13713745 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL16946235 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL3794899 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8908686 0.89 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1

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-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 US disclosed
US-7312194-B2 Delivery systems ALCHEMIA PTY. LTD. (AU) 2007-12-25 US disclosed