SCHEMBL5608256

SCHEMBL5608256

CCOC(=O)C12CC3CC(C)(CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.36
ABL1 P00519 1/20 0.36
TSHR P16473 1/20 0.36
RIN1 Q13671 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7797401 0.89 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL5608188 0.89 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD11B1NPSR1LMNA
SCHEMBL5608088 0.89 NPSR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1HSD11B1
SCHEMBL7735490 0.84 NPSR1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1HSD11B1
SCHEMBL16708397 0.83 MEN1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4033960 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5608298 0.78 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1HSD11B1
SCHEMBL8197101 0.78 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HSD11B1MAPT
SCHEMBL5608323 0.78 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5608428 0.78 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HSD11B1MAPT

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
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed