SCHEMBL2301912

SCHEMBL2301912

CCOC(=O)C=CC(C)(C)COC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MGLL Q99685 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
CREBBP Q92793 1/20 0.31
PTPN1 P18031 1/20 0.30
MAPT P10636 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
SCHEMBL2301907 1.00 MEN1 (0.34) MEN1KMT2AHCAR2MGLLL3MBTL1
SCHEMBL10242853 0.84 MEN1 (0.43) MEN1KMT2AHCAR2MGLL
SCHEMBL3348695 0.84 MEN1 (0.40) MEN1KMT2AMGLLCREBBPPTPN1
SCHEMBL3348688 0.84 MEN1 (0.40) MEN1KMT2AMGLLCREBBPPTPN1
SCHEMBL5926286 0.80 MAPT (0.38) MEN1KMT2AHCAR2MGLLL3MBTL1
SCHEMBL5926284 0.80 MAPT (0.38) MEN1KMT2AHCAR2MGLLL3MBTL1
SCHEMBL18290965 0.78 MAPT (0.42) MEN1KMT2AHCAR2MGLLL3MBTL1
SCHEMBL6903532 0.77 MAPT (0.48) MEN1KMT2AHCAR2MGLLALDH1A1
SCHEMBL3074618 0.75 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL6922396 0.75 MAPT (0.46) MEN1KMT2AHCAR2ALDH1A1MAPT

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-2349276-A2 HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed