SCHEMBL11653000

SCHEMBL11653000

C=CC[C@@H]1CC[C@H](CC=C)N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL11126675 1.00 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL2695913 0.89 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL606249 0.89 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL2695911 0.89 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL12305635 0.79 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL12128028 0.79 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL9536112 0.79 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL9545875 0.78 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL9536101 0.78 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL9536106 0.78 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2MEN1MAPTKMT2A

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
US-4083851-A HYDROGENATION, CATALYST ON SUPPORT DIAMOND SHAMROCK CORPORATION (US) 1978-04-11 US disclosed
US-4083851-A HYDROGENATION, CATALYST ON SUPPORT DIAMOND SHAMROCK CORPORATION (US) 1978-04-11 US disclosed
US-4083851-A HYDROGENATION, CATALYST ON SUPPORT DIAMOND SHAMROCK CORPORATION (US) 1978-04-11 US disclosed