SCHEMBL29087367

SCHEMBL29087367

CNC12CC3(C)CC(C)(C1)CC(C(=O)OC)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX12 P18054 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
SCHEMBL25002449 0.88 NPSR1 (0.34) LMNANPSR1MEN1KMT2A
SCHEMBL4037265 0.86 PKM (0.52) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL4037047 0.84 PKM (0.50) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL20345497 0.84 TSHR (0.48) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL6231175 0.77 TSHR (0.44) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL4036133 0.77 TSHR (0.44) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL4037262 0.76 TSHR (0.43) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL5608040 0.73 TSHR (0.41) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL5608366 0.73 TSHR (0.41) TSHRHSD17B10PKMSMN1; SMN2GAA
SCHEMBL4035390 0.73 TSHR (0.45) TSHRHSD17B10PKMSMN1; SMN2GAA

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-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed