SCHEMBL11154682

SCHEMBL11154682

CC(NNC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
EPHX2 P34913 6/20 0.44
EPHX1 P07099 2/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
Hydrochloric Acid SCHEMBL11151714 0.98 SMN1; SMN2 (0.49) SMN1; SMN2EPHX2EPHX1LMNAHTT
SCHEMBL839161 0.81 SMN1; SMN2 (0.53) SMN1; SMN2EPHX2EPHX1LMNAHTT
SCHEMBL839162 0.81 SMN1; SMN2 (0.53) SMN1; SMN2EPHX2EPHX1LMNAHTT
SCHEMBL8812116 0.81 SMN1; SMN2 (0.53) SMN1; SMN2EPHX2EPHX1LMNAHTT
Hydrochloric Acid SCHEMBL5988469 0.79 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2EPHX1LMNAHTT
Hydrochloric Acid SCHEMBL5988473 0.79 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2EPHX1LMNAHTT
SCHEMBL11152670 0.78 ALDH1A1 (0.44) SMN1; SMN2EPHX2LMNAHTTKMT2A
SCHEMBL11153662 0.77 SMN1; SMN2 (0.50) SMN1; SMN2EPHX2EPHX1KMT2AGAA
Hydrochloric Acid SCHEMBL11152864 0.77 ALDH1A1 (0.43) SMN1; SMN2EPHX2LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL11155254 0.76 SMN1; SMN2 (0.49) SMN1; SMN2EPHX2EPHX1KMT2AALDH1A1

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-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 EP claimed