SCHEMBL13063367

SCHEMBL13063367

C=CC1(CC(=O)OCC)CC(C)=CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.35
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL3078747 0.75 KMT2A (0.39) KMT2AL3MBTL1GAAALDH1A1ALOX15
SCHEMBL8234342 0.74 GAA (0.41) KMT2AL3MBTL1GAAALDH1A1HSD17B10
SCHEMBL9796453 0.70 KDM4E (0.40) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL19746316 0.70 GAA (0.38) KMT2AL3MBTL1GAAALDH1A1HSD17B10
SCHEMBL14559644 0.69 GAA (0.36) KMT2AL3MBTL1GAAALDH1A1USP2
SCHEMBL6023769 0.68 TSHR (0.40) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL597365 0.63 KMT2A (0.51) KMT2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL27300102 0.62 GAA (0.43) KMT2AL3MBTL1GAAALDH1A1HSD17B10
SCHEMBL19746544 0.62 SMN1; SMN2 (0.38) KMT2AL3MBTL1GAAALDH1A1USP2
SCHEMBL2048291 0.62 GAA (0.39) KMT2AL3MBTL1GAAALDH1A1HSD17B10

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-2260839-A2 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors Merz Pharma GmbH & Co. KGaA (DE) 2010-12-15 EP disclosed