SCHEMBL9544814

SCHEMBL9544814

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
TLR2 O60603 7/20 0.51
CCKBR P32239 1/20 0.48
SIRT2 Q8IXJ6 4/20 0.48
SIRT1 Q96EB6 3/20 0.48
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL9544817 0.87 MEN1 (0.48) MEN1ALDH1A1HPGDKMT2ATLR2
SCHEMBL9544253 0.82 CTSK (0.47) TLR2MME
SCHEMBL9544528 0.80 PPARA (0.59) SIRT2SIRT1HDAC3HDAC4HDAC1
SCHEMBL9544551 0.80 PPARA (0.59) SIRT2SIRT1HDAC3HDAC4HDAC1
SCHEMBL9544644 0.80 PPARA (0.59) SIRT2SIRT1HDAC3HDAC4HDAC1
SCHEMBL23497308 0.80 KMT2A (0.64) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL22577402 0.80 KMT2A (0.64) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL22577401 0.80 KMT2A (0.64) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL22684688 0.80 KMT2A (0.64) MEN1ALDH1A1HPGDKMT2ACCKBR
SCHEMBL23497307 0.80 KMT2A (0.64) MEN1ALDH1A1HPGDKMT2ACCKBR

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
WO-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed