SCHEMBL11252003

SCHEMBL11252003

CC(=O)[C@@]1(COC(=O)NCCCl)C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL11252005 1.00 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11072312 0.90 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11256657 0.90 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11075848 0.88 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11257321 0.88 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11102700 0.87 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11259323 0.87 MEN1 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL11078115 0.87 MEN1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL11259325 0.87 MEN1 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL11251554 0.86 MEN1 (0.36) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed