SCHEMBL5609809

SCHEMBL5609809

CC(=O)C12CC3CC(CC(OC(=O)C(=O)C45CC6CC(CC(O)(C6)C4)C5)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 2/20 0.38
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
ABL1 P00519 1/20 0.34
TSHR P16473 1/20 0.34
RIN1 Q13671 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
PREP P48147 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL5346781 0.82 HSD11B1 (0.54) HSD11B1ALDH1A1CNR2CNR1ABL1
SCHEMBL5609803 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1CNR2CNR1ABL1
SCHEMBL27560710 0.79 DPP4 (0.42) ALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL2623074 0.77 HSD11B1 (0.47) HSD11B1ALDH1A1CNR2CNR1ABL1
SCHEMBL22728354 0.77 PKM (0.39) HSD11B1ALDH1A1CNR2CNR1ABL1
SCHEMBL3290103 0.75 DPP8 (0.37) HSD11B1ALDH1A1CNR2NPSR1PKM
SCHEMBL15281467 0.75 PKM (0.37) HSD11B1ALDH1A1NPSR1PKMDPP8
SCHEMBL13015773 0.75 PKM (0.37) HSD11B1ALDH1A1L3MBTL1NPSR1PKM
SCHEMBL13383446 0.75 PKM (0.37) HSD11B1ALDH1A1NPSR1PKMDPP8
SCHEMBL41045 0.75 PKM (0.37) HSD11B1ALDH1A1NPSR1PKMDPP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023052-A Synthesis process for 2-(3-hydroxy-1-adamantyl)-2-oxoacetic acid ALBEMARLE CORP (US) 2007-08-22 CN disclosed
EP-1789376-A1 SYNTHESIS PROCESS FOR 2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACID ALBEMARLE CORPORATION (US) 2007-05-30 EP disclosed
WO-2006034175-A1 SYNTHESIS PROCESS FOR 2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACID ALBEMARLE CORPORATION (US) 2006-03-30 WO disclosed