SCHEMBL21397914

SCHEMBL21397914

CC1(C)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.60
PTPN1 P18031 3/20 0.58
PTPN2 P17706 1/20 0.58
CDC25B P30305 1/20 0.58
HSD11B1 P28845 2/20 0.57
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SELP P16109 1/20 0.43
ATM Q13315 1/20 0.42
MMP2 P08253 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSP90AA1 P07900 1/20 0.39
RPA1 P27694 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL22922183 1.00 F10 (0.60) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL21754703 0.89 F10 (0.60) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL24834650 0.89 F10 (0.60) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL24834731 0.89 F10 (0.60) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL24834669 0.86 HSD11B1 (0.63) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL13401675 0.85 F10 (0.55) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL13401724 0.81 F10 (0.60) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL24834728 0.80 F10 (0.61) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL13078280 0.78 F10 (0.56) F10PTPN1PTPN2CDC25BHSD11B1
SCHEMBL22922196 0.78 F10 (0.66) F10PTPN1PTPN2CDC25BHSD11B1

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-2022101133-A1 FOOD COMPRISING ISOSTEVIOL AND USES THEREOF ISOFIRMS APS (DK) 2022-05-19 WO disclosed
US-20190289890-A1 COMPOSITIONS OF STEVIOL GLYCOSIDES AND/OR MULTIGLYCOSYLATED DERIVATIVES THEREOF TATE & LYLE TECHNOLOGY LIMITED (GB) 2019-09-26 US disclosed