SCHEMBL11291084

SCHEMBL11291084

CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
SIRT2 Q8IXJ6 8/20 0.48
PSMB5 P28074 2/20 0.47
SIRT1 Q96EB6 5/20 0.46
SIRT3 Q9NTG7 4/20 0.46
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44

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
SCHEMBL28252938 0.91 SIRT2 (0.51) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL28252935 0.91 SIRT2 (0.51) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL10419873 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL7776611 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL7776616 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL17446676 0.86 KMT2A (0.59) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL17446749 0.83 SIRT2 (0.46) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL5017052 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL22271575 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL9838107 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362716-A IMMUNOSTIMULANTS RHONE-POULENC INDUSTRIES (FR) 1982-12-07 US claimed
US-4362716-A IMMUNOSTIMULANTS RHONE-POULENC INDUSTRIES (FR) 1982-12-07 US disclosed