SCHEMBL7797328

SCHEMBL7797328

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
P2RX7 Q99572 1/20 0.37
NPC1 O15118 1/20 0.37
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
LMNA P02545 2/20 0.36
SLC22A1 O15245 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL19506897 0.86 NPSR1 (0.33) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL7797311 0.80 MEN1 (0.44) MEN1KMT2AMAPTGAAALOX12
SCHEMBL1088391 0.79 MEN1 (0.53) MEN1KMT2AMAPTGAAALOX12
SCHEMBL1464077 0.75 NPSR1 (0.45) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL4037135 0.75 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL16731837 0.75 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL7797401 0.75 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL5374123 0.74 MAPT (0.44) MEN1KMT2AMAPTGAALMNA
SCHEMBL14696598 0.74 MEN1 (0.59) MEN1KMT2AMAPTGAAALOX12
SCHEMBL7133628 0.73 SMN1; SMN2 (0.42) MEN1KMT2AMAPTGAAALOX12

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
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed