SCHEMBL4034834

SCHEMBL4034834

CC(C)Oc1ccc(C#CCN(C)[C@H](C)[C@@H](C)O)cc1C(=O)N[C@H](O)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MCL1 Q07820 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
SSTR2 P30874 5/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
BCHE P06276 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
SCHEMBL4034832 1.00 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4035465 0.86 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4035456 0.86 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4032288 0.85 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4032286 0.85 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL3938457 0.85 MAPT (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13961580 0.85 MAPT (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4037079 0.84 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4037068 0.84 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4034396 0.84 ALOX5 (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1

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-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed