SCHEMBL5017052

SCHEMBL5017052

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SIRT2 Q8IXJ6 4/20 0.53
SIRT1 Q96EB6 2/20 0.53
SIRT3 Q9NTG7 1/20 0.53
FAAH O00519 2/20 0.52
PSMB5 P28074 1/20 0.51
NOD1 Q9Y239 1/20 0.50
EPHX2 P34913 1/20 0.50
PLA2G2C Q5R387 1/20 0.50

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
SCHEMBL4065856 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL9838107 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL22271575 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL8162401 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL18729465 0.94 FOLH1 (0.53)
SCHEMBL17767808 0.94 FOLH1 (0.53)
SCHEMBL17832976 0.92 KMT2A (0.64) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL15931039 0.91 SIRT2 (0.55) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL28252935 0.89 SIRT2 (0.51) MEN1KMT2AALDH1A1HPGDSIRT2
SCHEMBL28252938 0.89 SIRT2 (0.51) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956000-B1 ACYLATING AGENTS USEFUL FOR ACYLATING PEPTIDES NOVO NORDISK AS (DK) 2016-10-05 EP disclosed
EP-1163211-B1 METHOD FOR ACYLATING PEPTIDES AND PROTEINS NOVO NORDISK AS (DK) 2008-09-24 EP disclosed
EP-1956000-A1 Acylating agents useful for acylating peptides Novo Nordisk A/S (DK) 2008-08-13 EP disclosed
US-6451974-B1 GLUTAMIC ACID DERIVATIVE; SAPONIFICATION; RACEMIZATION PREVENTION NOVO NORDISK A/S (DK) 2002-09-17 US disclosed
CN-1344248-A Method for acylating peptides and novel acylating agents NOVO NORDISK AS (DK) 2002-04-10 CN disclosed
EP-1163211-A1 METHOD FOR ACYLATING PEPTIDES AND NOVEL ACYLATING AGENTS NOVO NORDISK A/S (DK) 2001-12-19 EP disclosed
WO-2000055119-A1 METHOD FOR ACYLATING PEPTIDES AND NOVEL ACYLATING AGENTS NOVO NORDISK A/S (DK) 2000-09-21 WO disclosed